[ CAS No. 123-08-0 ] {[proInfo.proName]}

Name: 123-08-0|4-Hydroxybenzaldehyde|98%
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Quality Control of [ 123-08-0 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 123-08-0 ]

Product Details of [ 123-08-0 ]

CAS No. :	123-08-0	MDL No. :	MFCD00006939
Formula :	C₇H₆O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	RGHHSNMVTDWUBI-UHFFFAOYSA-N
M.W :	122.12	Pubchem ID :	126
Synonyms :	4-Formylphenol;p-Formylphenol;4-Hydroxybenzaldehyde

Calculated chemistry of [ 123-08-0 ]

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	33.85
TPSA :	37.3 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.09 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.99
Log Po/w (XLOGP3) :	1.35
Log Po/w (WLOGP) :	1.2
Log Po/w (MLOGP) :	0.79
Log Po/w (SILICOS-IT) :	1.52
Consensus Log Po/w :	1.17

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.87
Solubility :	1.63 mg/ml ; 0.0133 mol/l
Class :	Very soluble
Log S (Ali) :	-1.74
Solubility :	2.25 mg/ml ; 0.0184 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.72
Solubility :	2.31 mg/ml ; 0.0189 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.0

Safety of [ 123-08-0 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 123-08-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 123-08-0 ]

[ 123-08-0 ] Synthesis Path-Downstream 1~88

1
[ 4146-24-1 ]
[ 123-08-0 ]
4-[<i>trans</i>(?)-2-(6-chloro-benzothiazol-2-yl)-vinyl]-phenol [ No CAS ]

Reference： [1]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1952,vol. 72,p. 504
Chem.Abstr.,1953,p. 6406

3
[ 1828-66-6 ]
[ 123-08-0 ]
[ 99856-62-9 ]

Reference： [1]Patent: DE1016656,1957,

4
[ 18294-87-6 ]
[ 123-08-0 ]
2-cyclohex-1-enyl-3-(4-hydroxy-phenyl)-acrylic acid [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1945,vol. 67,p. 1432,1434

5
[ 6322-56-1 ]
[ 123-08-0 ]
[ 3844-87-9 ]

Reference： [1],1959,vol. 5,p. 70

6
[ 5048-82-8 ]
[ 123-08-0 ]
4-(4-hydroxy-benzylidenamino)-<i>trans</i>-cinnamic acid ethyl ester [ No CAS ]

Reference： [1]Chemische Berichte,1938,vol. 71,p. 501,504, 517

7
[ 123-08-0 ]
[ 2314-36-5 ]

Yield	Reaction Conditions	Operation in experiment
55%	With sulfuryl dichloride; In chloroform;Inert atmosphere; Reflux;	Compound R53 (4.9 g, 40 mmol) was dissolved in 80 ml of dry chloroform, followed by argon gasProtected, heated to reflux, slowly added dropwise a solution of 20 ml of sulfonyl chloride (6.4 ml, 80 mmol) in chloroform, and then refluxed overnight. The reaction solution was spin-dried and purified on a silica gel column. Yield 4.2g (55percent).

Reference： [1]Advanced Synthesis and Catalysis,2013,vol. 355,p. 2936 - 2941
[2]Patent: CN104341347,2018,B .Location in patent: Paragraph 0134; 0135
[3]Chemische Berichte,1904,vol. 37,p. 4033
[4]Chemische Berichte,1896,vol. 29,p. 2357

8
[ 2921-14-4 ]
[ 123-08-0 ]
[ 90564-13-9 ]

Reference： [1]Monatshefte fur Chemie,1961,vol. 92,p. 725 - 739

9
[ 5223-06-3 ]
[ 123-08-0 ]
[ 114393-97-4 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1991,vol. 39,p. 1440 - 1445

10
[ 1647-23-0 ]
[ 123-08-0 ]
4-(3,3-dimethyl-1-butoxy)benzaldehyde [ No CAS ]

Reference： [1]Journal of Heterocyclic Chemistry,1993,vol. 30,p. 1549 - 1556

11
[ 84-67-3 ]
[ 151-50-8 ]
[ 123-08-0 ]
[ 139555-29-6 ]

Reference： [1]Journal of the Indian Chemical Society,1991,vol. 68,p. 464 - 465

12
[ 129012-04-0 ]
[ 123-08-0 ]
[ 129012-00-6 ]

Reference： [1]Synthetic Communications,1990,vol. 20,p. 955 - 963

13
[ 15572-56-2 ]
[ 123-08-0 ]
[ 5961-39-7 ]

Reference： [1]Bioscience, Biotechnology and Biochemistry,1992,vol. 56,p. 1943 - 1948

14
[ 108-24-7 ]
[ 123-08-0 ]
[ 2682-45-3 ]
[ 102912-83-4 ]

Reference： [1]Journal fur praktische Chemie (Leipzig 1954),1985,vol. 327,p. 698 - 704

15
[ 123-08-0 ]
[ 2682-45-3 ]
[ 102912-83-4 ]

Reference： [1]Journal fur praktische Chemie (Leipzig 1954),1985,vol. 327,p. 698 - 704

16
[ 4331-29-7 ]
[ 123-08-0 ]
4-[(E)-1H-Benzoimidazol-4-ylimino]-methyl}-phenol [ No CAS ]

Reference： [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1995,vol. 34,p. 982 - 984

17
[ 123-08-0 ]
[ 603-81-6 ]
2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxylic acid [ No CAS ]

Reference： [1]Synthetic Communications,2005,vol. 35,p. 2395 - 2399
[2]Journal of Medicinal Chemistry,2000,vol. 43,p. 4084 - 4097

18
[ 67589-90-6 ]
[ 87120-72-7 ]
[ 123-08-0 ]
[ 127406-55-7 ]
4-pentyl-cyclohexanecarboxylic acid [1-(4-hydroxy-benzyl)-piperidin-4-yl]-(4-pyridin-3-yl-benzyl)-amide [ No CAS ]

Reference： [1]Molecules,2003,vol. 8,p. 556 - 564

19
[ 875-59-2 ]
[ 123-08-0 ]
(E)-1-(4-Hydroxy-2-methyl-phenyl)-3-(4-hydroxy-phenyl)-propenone [ No CAS ]

Reference： [1]Organic Letters,2004,vol. 6,p. 2019 - 2022

20
[ 123-08-0 ]
[ 3213-79-4 ]
2-(4'-hydroxyphenyl)1,3-dimethylbenzimidazole [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2005,vol. 70,p. 9632 - 9635
[2]Chemistry Letters,2004,vol. 33,p. 18 - 19

21
[ 17890-56-1 ]
[ 123-08-0 ]
[ 570423-89-1 ]

Reference： [1]Journal of Medicinal Chemistry,2000,vol. 43,p. 690 - 705

22
[ 123-08-0 ]
N-Me-X [ No CAS ]
[ 29922-56-3 ]

Reference： [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 3540 - 3560

23
[ 123-08-0 ]
/PXGAB₁₁₄--212/ [ No CAS ]
[ 2538-87-6 ]

Reference： [1]Angewandte Chemie - International Edition,2006,vol. 45,p. 6317 - 6321

24
[ 123-08-0 ]
/PXGAB₁₁₄--212/ [ No CAS ]
[ 61439-59-6 ]

Reference： [1]Tetrahedron,2002,vol. 58,p. 1223 - 1227

25
[ 123-08-0 ]
sodium-salt of/the/ <3.4-dihydroxy-phenyl>-acetic acid [ No CAS ]
[ 79865-89-7 ]

Reference： [1]Journal of Chemical Research - Part S,1996,p. 424 - 425

26
[ 123-08-0 ]
5.7-dioxy-benzotetronic acid carboxylic acid-(6 or 8)-ethyl ester [ No CAS ]
[ 57726-26-8 ]

Reference： [1]Molecular Crystals and Liquid Crystals (1969-1991),1984,vol. 112,p. 319 - 324
[2]Molecular Crystals and Liquid Crystals (1969-1991),1985,vol. 130,p. 231 - 248

27
[ 123-08-0 ]
[ 20059-73-8 ]

Reference： [1]Patent: US2879293,1957,
[2]Organic Process Research and Development,2013,vol. 17,p. 981 - 984
[3]Patent: KR101819771,2018,B1
[4]Chemical Communications,2019,vol. 55,p. 9436 - 9439

28
[ 123-08-0 ]
[ 29922-56-3 ]

Reference： [1]Journal of the American Chemical Society,1936,vol. 58,p. 1565,1566

29
[ 123-08-0 ]
[ 371-40-4 ]
[ 3382-63-6 ]

Yield	Reaction Conditions	Operation in experiment
97.5%	In water; at 20 - 85℃; for 5.5h;Large scale;	At room temperature, water (400 L) and p-hydroxybenzaldehyde (100 kg)Heated to 85 C,Keep stirring for about 30 minutes to clarify,Then p-fluoroaniline was added slowly over 2 hours at 85 C,Continue to heat and stir for 1 hour.Slowly cool to room temperature and stir for 2 hours.Centrifugal, spin-dry for 30 minutes,Washed with water (500 L)Spin dry for 1 hour.Centrifuge the material at 50 C for 5 hours4 - [(4-Fluoro-phenylimino) -methyl] phenol,Called Schiff base.Yield: 97.5%.
90%	In methanol; at 20 - 30℃;Large scale;	12 Kg 4-hydroxybenzaldehyde and 60 L methanol were added to a 100 L reaction tank and were dissolved under stirring, 12 Kg 4-fluoroaniline was added drop by drop at room temperature, the mixture was reacted continuously for 23 hours after the addition. The reaction was monitored by TLC until the spots of the raw material (4-hydroxylbenzaldehyde) disappeared, the solid produced by the reaction was filtered, dried and weighted 19 Kg (yield: 90%). (0056) 1H NMR (400 MHz, DMSO-d6): delta 6.88 (d, 2H, J=8.4 Hz), 7.18-7.27 (m, 4H), 7.76 (d, 2H, J=8.4 Hz), 8.46 (s, 1H), 10.11 (s, 1H).
88%	In isopropyl alcohol; at 50℃; for 1h;	Equip a three necked 1L flask with a mechanical stirrer, thermometer and an addition funnel. Add 480 mL of isopropanol, 144 g (1.18 moles) of p-hydroxybenzaldehyde (endothermic) and agitate the mixture while heating to a temperature of 50C. Agitate the mixture at 50C for 15 min (making sure all the material is in solution), then add 114 mL (1.2 moles) of p-fluoroaniline slowly via the addition funnel (exothermic reaction). After the addition is complete, agitate the thick slurry for 1 hr at 50C, cool to r.t. and agitate for 30 min. Filter the product, wash the cake with 150 mL of isopropanol, dry the wet cake in a draft oven at 50C for 24 h or until dry to yield 222 g of the imine (88%); mp: 180-182C

84%	In ethanol;	Preparation of N-(4-hydroxybenzylidene)-4-fluorobenzenamine (Intermediate 1). N-(4-hydroxybenzylidene)-4-fluorobenzenamine (Intermediate 1) was synthesized following the procedure described in Layer Chem. Rev. 1963, 63, 489; Ojima et. al. Tetrahedron Lett. 1990, 31, 4289 and Poljak et. al. J. Mol. Struct. 2005, 751, 60. To an ethanol solution of 4- hydroxybenzaldehide (5 g, 40.94 mmol), 4-fluoroaniline (4.5 g, 40.94 mmol) was added and the mixture was stirred for 3h. Solvent was evaporated to dryness and the product recrystallized in ethyl acetate. Intermediate 1 was obtained as white crystals (7.6 g, 84%) (Scheme 1). 1H NMR (600 MHz, DMSO-d6): 6.88 (d, 2H, J = 8.6 Hz), 7.19-7.27 (m, 4H), 7.76 (d, 2H, J = 8.6 Hz), 8.46 (s, 1H), 10.12 (bs, 1H).
80%	In isopropyl alcohol; at 50℃; for 1h;	The compound (1) (10 g, 81.90 mmol) and p-fluoroaniline (9 g, 81.00 mmol) were dissolved in isopropanol (75 ml)Heated to 50 C,Stir for 1h,Down to room temperature,Filter,Add isopropyl alcohol (10ml) leaching,To give a pale yellow solid,Compound (2) (14.2 g, 80% yield).
		(1-3) Preparation of 2,2-dimethyl-propionic acid 4-[(4-fluorophenyl imino)-methyl] -phenyl ester (Formula 6); 180 g of 4- [(4-fluorophenylimino)-methyl] -phenol, which had been prepared by the reaction of 4-hydroxybenzaldehyde with 4-fluoroaniline according to the method described in U.S. Pat. No. 6,207,822,

Reference： [1]Patent: CN106967106,2017,A .Location in patent: Paragraph 0029; 0030; 0031
[2]Patent: US2017/121281,2017,A1 .Location in patent: Paragraph 0054-0056
[3]Patent: EP1137634,2005,B1 .Location in patent: Page/Page column 9
[4]Patent: WO2015/92448,2015,A1 .Location in patent: Page/Page column 20
[5]Patent: CN104513187,2017,B .Location in patent: Paragraph 0047; 0048; 0049
[6]Patent: WO2010/71358,2010,A2 .Location in patent: Page/Page column 16
[7]Asian Journal of Chemistry,2011,vol. 23,p. 1405 - 1406
[8]Asian Journal of Chemistry,2014,vol. 26,p. 7737 - 7740
[9]RSC Advances,2015,vol. 5,p. 55100 - 55108
[10]Journal of Enzyme Inhibition and Medicinal Chemistry,2016,vol. 31,p. 117 - 130
[11]Journal of Physical Organic Chemistry,2017,vol. 30
[12]Journal of Physical Organic Chemistry,2019,vol. 32
[13]Journal of Physical Organic Chemistry,2020,vol. 33

30
N,N'-dicyclodicyclohexylcarbodiimide [ No CAS ]
[ 123-08-0 ]
[ 83883-26-5 ]
[ 175798-17-1 ]

Yield	Reaction Conditions	Operation in experiment
	With dmap; In dichloromethane; water;	(a) 0.6 g of N,N'-dicyclodicyclohexylcarbodiimide is added at room temperature while stirring to a solution of 1.0 g of 4-[6-acryloyloxyhexyloxy]benzoic acid, 0.3 g of 4-hydroxybenzaldehyde and 0.04 g of 4-dimethylaminopyridine in 20 ml of dichloromethane. The reaction mixture is stirred at room temperature overnight, poured into 100 ml of water and then extracted three times with 50 ml of dichloromethane each time. The combined organic phases are washed twice with 100 ml of water each time, dried over magnesium sulphate, filtered and the filtrate is subsequently concentrated. Chromatographic purification of the residue on silica gel with hexane/ethyl acetate (vol. 1:1) and two-fold recrystallization from ethanol of the fractions which are pure according to thin-layer chromatography gives 0.9 g of 4-(4-[6-acryloyloxyhexyloxy]phenylcarbonyloxy)benzaldehyde.

Reference： [1]Patent: US5593617,1997,A

31
[ 5223-06-3 ]
[ 23616-79-7 ]
[ 123-08-0 ]
[ 98-59-9 ]
[ 114393-97-4 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; In dichloromethane; water;	(a) To a solution of sodium hydroxide (5 g) in water (30 ml), were added methylene chloride (100 ml), 5-ethyl-2-pyridineethanol (15 g) and benzyltributylammonium chloride (50% aqueous solution, 6 g), p-toluenesulfonyl chloride (23 g), and the mixture was stirred at room temperature for 2 hours. To the reaction mixture were added p-hydroxybenzaldehyde (12 g), water (100 ml) and sodium hydroxide (8 g) and the mixture was stirred at 40-50 C. for 12 hours. The reaction mixture was separated into two phases and the methylene chloride layer was dried (MgSO4) and concentrated to give 28.6 g of crude 4-[2-(5-ethyl-2-pyridyl)ethoxy]benzaldehyde as oil. This oil was purified by silica gel chromatography to give 15.8 g (62%) of pure 4-[2-(5-ethyl-2-pyridyl)ethoxy]benzaldehyde as oil. NMR(CDCl3) delta: 1.15 (t, 3H), 2.6 (q, 2H), 3.2 (t, 2H), 4.4 (t, 2H), 6.89-8.35 (m, 7H), 9.88 (s, 1H).
	With sodium hydroxide; In dichloromethane; water;	a) To a solution of sodium hydroxide (5 g) in water (30 ml), were added methylene chloride (100 ml), 5-ethyl-2-pyridineethanol (15 g) and benzyltributylammonium chloride (50% aqueous solution, 6 g), p-toluenesulfonyl chloride (23 g), and the mixture was stirred at room temperature for 2 hours. To the reaction mixture were added p-hydroxybenzaldehyde (12 g), water (100 ml) and sodium hydroxide (8 g) and the mixture was stirred at 40-50C for 12 hours. The reaction mixture was separated into two phases and the methylene chloride layer was dried (MgSO4) and concentrated to give 28.6 g of crude 4-[2-(5-ethyl-2-pyridyl)ethoxy]benzaldehyde as oil. This oil was purified by silica gel chromatography to give 15.8 g (62%) of pure 4-[2-(5-ethyl-2-pyridyl)ethoxy]benzaldehyde as oil. NMR(CDCl3) delta: 1.15 (t, 3H), 2.6 (q, 2H), 3.2 (t, 2H), 4.4 (t, 2H), 6.89-8.35 (m, 7H), 9.88 (s, 1H)

Reference： [1]Patent: US4812570,1989,A
[2]Patent: EP257781,1991,B1

32
[ 13220-33-2 ]
[ 123-08-0 ]
C₁₂H₁₅NO₂ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 6467 - 6471

33
[ 123-08-0 ]
[ 556-90-1 ]
[ 299953-00-7 ]

Reference： [1]Synthetic Communications,2008,vol. 38,p. 4182 - 4187

34
[ 123-08-0 ]
[ 148416-38-0 ]
[ 934765-48-7 ]

Yield	Reaction Conditions	Operation in experiment
	With caesium carbonate; In N,N-dimethyl-formamide; at 65℃; for 18h;	Step 1: 4-[(3-Amino-2,6-difluoro-4-nitrophenyl)oxy]benzaldehyde Preparation 2,3,4-Trifluoro-6-nitroaniline (5 g, 26 mmol), 4-hydroxybenzaldehyde (3.5 g, 28.6 mmol) and Cs2CO3 (10.5 g, 32.6 mmol) were stirred in 150 mL of dimethylformamide at 65 degrees Centigrade for approximately 18 hours. The reaction mixture was concentrated and the residue was dissolved in ethyl acetate and water. The aqueous layer was extracted three times with ethyl acetate. The organic layers were combined, washed five times with brine, dried over Mg2SO4 and concentrated onto basic alumina. The residue was purified by silica gel column chromatography (hexane to ethyl acetate gradient) to give 4-[(3-amino-2,6-difluoro-4-nitrophenyl)oxy]benzaldehyde. 1H NMR (400 MHz, DMSO-d6) delta ppm 7.29 (d, J=8.8 Hz, 2H) 7.46 (s., 2H) 7.93 (d, J=8.8 Hz, 2H) 7.98 (dd, J=11.0, 1.7 Hz, 1H) 9.93 (s., 1H)

Reference： [1]Patent: US2009/54431,2009,A1 .Location in patent: Page/Page column 24

35
[ 16632-21-6 ]
[ 123-08-0 ]
[ 1173698-48-0 ]

Reference： [1]Journal of Organic Chemistry,2009,vol. 74,p. 5123 - 5134
[2]Chemical Biology and Drug Design,2015,vol. 85,p. 296 - 299

36
[ 85531-02-8 ]
[ 123-08-0 ]
[ 1155861-33-8 ]

Reference： [1]Chemistry and Physics of Lipids,2008,vol. 155,p. 98 - 113

37
[ 26475-62-7 ]
[ 123-08-0 ]
[ 125534-05-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2010,vol. 18,p. 1428 - 1433

38
[ 123-08-0 ]
[ 556-90-1 ]
[ 1198097-97-0 ]

Yield	Reaction Conditions	Operation in experiment
61.8%	With sodium acetate; acetic acid; for 3h;Reflux;	General procedure: [0268] Synthesis of Compounds 120 to 122, which are (Z)-5-(substituted benzylidene)-2-iminothiazolidin-4-one analogs, was performed as follows. In detail, in an acetic acid (4 mL/1 g sodium acetate) solvent, a mixture including a substituted benzaldhehyde (300 mg), <strong>[556-90-1]pseudothiohydantoin</strong> (1.1 eq.), and sodium acetate (3.0 eq.) was refluxed for 3 to 7 hours. Afier cooling, water was added thereto, and the produced precipitate was filtered, and in consideration of physical characteristics of the used starting materials, the resultant precipitate was washed with water and methylene chloride and/or ethyl acetate to obtain a solid target product. [0271] Orange solid; a reaction time of 3 hours; a yield of61.8%; a melting point of >300 C.; ?H NMR (500 MHz,DMSO-d5) oe 10.10 (s, 1H), 9.29 (brs, 1H), 9.04 (s, 1H), 7.49(s, 1H), 7.40 (d, 2H, J=9.0 Hz), 6.88 (d, 2H, J=8.5 Hz); ?3CNMR (100 MHz, DMSO-d5) oe 181.4, 176.1, 159.6, 132.1,130.2, 126.0, 125.5, 116.8; ERMS (ES) mlz 219 (M-H)-.
61.8%	With sodium acetate; acetic acid; for 3h;Reflux;	General procedure: Synthesis of Compounds 120 to 122, which are (Z)-5-(substituted benzylidene)-2-iminothiazolidin-4-one analogs, was performed as follows. In detail, in an acetic acid (4 mL/1 g sodium acetate) solvent, a mixture including a substituted benzaldhehyde (300 mg), <strong>[556-90-1]pseudothiohydantoin</strong> (1.1 eq.), and sodium acetate (3.0 eq.) was refluxed for 3 to 7 hours. After cooling, water was added thereto, and the produced precipitate was filtered, and in consideration of physical characteristics of the used starting materials, the resultant precipitate was washed with water and methylene chloride and/or ethyl acetate to obtain a solid target product.
61.8%	With sodium acetate; acetic acid; for 3h;Reflux;	General procedure: The desired compounds, (Z)-5-(substituted benzylidene)-2-iminothiazolidin-4-one analogues (1a- 1l) (Figure 1), were prepared by Knoevenagel condensation.With one exception, refluxing a solution of appropriate benzaldehydes and <strong>[556-90-1]pseudothiohydantoin</strong>in acetic acid in the presence of NaOAc produced (Z)-5-benzylidene-2-iminothiazolidin-4-ones as a single stereoisomer in yields of 41.4-94.1%. A Knoevenagel condensation between 2,4-dimethoxybenzaldehyde and <strong>[556-90-1]pseudothiohydantoin</strong> under the same conditions gave amixture of (E)- and (Z)-5-(2,4-dimethoxybenzylidene)-2-iminothiazolidin-4-ones. These compounds could not be easily separated by conventional silica gel column chromatography. Milder reaction conditions capable of accomplishing the Knoevenagel condensation were needed to synthesize only (Z)-stereoisomer. Interestingly,heating a solution of 2,4-dimethoxy benzaldehyde and <strong>[556-90-1]pseudothiohydantoin</strong> in ethanol:H2O (1:1) in the presence of 1.0 equiv. of piperidine as a base catalyst at 80 C afforded the corresponding (Z)-stereoisomer(1l) as a sole product. A suspension of an appropriate benzaldehyde (300 mg, 1.53-2.46 mmol), <strong>[556-90-1]pseudothiohydantoin</strong>(1.1 eq.), and sodium acetate (3.0 eq.) in acetic acid (1 mL/1 mmol of benzaldehyde) was refluxed for 3-7 h. The reaction mixture was cooled and water was added. The resulting precipitates were filtered, and washed with water and, if necessary, a small amount of methylene chloride or ethyl acetate, to produce (Z)-5-(substituted benzylidene)-2-iminothiazolidin-4-oneproducts (1a - 1k) in 41.4-94.1% yields. The resulting precipitates were filtered, and washed with water,ethyl acetate and methylene chloride to give (Z)-5-(2,4-dimethoxybenzylidene)-2-iminothiazolidin-4-one (1l) all final products were confirmed by 1H and 13C NMR spectroscopy and mass spectroscopy. (Z)-5-(4-Hydroxybenzylidene)-2-iminothiazolidin-4-one (1a, MHY762) Orange colored solid; reaction time, 3 h; yield, 61.8%; melting point, >300 C; 1H-NMR (500 MHz, DMSO-d6)delta 10.10 (s, 1H, OH), 9.29 (br s, 1H, NH), 9.04 (s, 1H,NH), 7.49 (s, 1H, vinylic H), 7.40 (d, 2H, J = 9.0 Hz,2?-H, 6?-H), 6.88 (d, 2H, J = 8.5 Hz, 3?-H, 5?-H); 13CNMR(100 MHz, DMSO-d6) delta 181.4 (C-4), 176.1 (C-2),159.6 (C-4?), 132.1 (C-2?, C-6?), 130.2 (benzylic C), 126.0(C-5), 125.5 (C-1?), 116.8 (C-3?, C-5?); LRMS (ESI-) m/z 219 (M-H)-.

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39
1-chloro-2-(isocyanomethyl)benzene [ No CAS ]
[ 123-08-0 ]
[ 17220-38-1 ]
[ 1224473-92-0 ]

Reference： [1]European Journal of Organic Chemistry,2010,p. 1525 - 1543

40
[ 931-53-3 ]
[ 123-08-0 ]
[ 17220-38-1 ]
[ 1224473-90-8 ]

Reference： [1]European Journal of Organic Chemistry,2010,p. 1525 - 1543

41
[ 285-69-8 ]
[ 123-08-0 ]
rac-trans-4-[4-hydroxytetrahydrofuran-3-yl]oxy}benzaldehyde [ No CAS ]

Reference： [1]ChemMedChem,2017,vol. 12,p. 728 - 737

42
[ 285-69-8 ]
[ 123-08-0 ]
rac-trans-4-[4-hydroxytetrahydrofuran-3-yl]oxy}benzaldehyde [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
40%	With potassium tert-butylate; In N,N-dimethyl-formamide; at 120℃; for 20h;Inert atmosphere;	Example 3A; rac-trans-4-[4-Hydroxytetrahydrofuran-3-yl]oxy}benzaldehyde 6.00 g (49.1 mmol) of 4-hydroxybenzaldehyde were initially charged in 16 ml of DMF, 6.34 g (73.7 mmol) of <strong>[285-69-8]3,4-epoxytetrahydrofuran</strong> and 551 mg (4.91 mmol) of potassium tert-butoxide were added and the mixture was stirred under argon at 120° C. for 20 h. The reaction mixture was then stirred into 200 ml of water, and the resulting suspension was extracted with 300 ml of ethyl acetate. The organic phase was washed with water and saturated aqueous sodium chloride solution, dried over magnesium sulfate, filtered and concentrated. The residue obtained was chromatographed on silica gel using the mobile phase dichloromethane/methanol (100:1).Yield: 4.10 g (40percent of theory)LC-MS (Method 9): Rt=1.32 min; MS (ESIpos): m/z=209 [M+H]+ 1H-NMR (400 MHz, DMSO-d6): delta=9.89 (s, 1H); 7.89 (d, 2H); 7.18 (d, 2H); 5.57 (d, 1H); 4.81 (d, 1H); 4.24 (br. t, 1H); 4.09 (dd, 1H); 3.93 (dd, 1H); 3.80 (d, 1H); 3.61 (dd, 1H).

Reference： [1]Patent: US2011/21487,2011,A1 .Location in patent: Page/Page column 20

43
[ 932-52-5 ]
[ 123-08-0 ]
[ 273745-66-7 ]

Reference： [1]Monatshefte fur Chemie,2011,vol. 142,p. 1155 - 1161
[2]Russian Journal of General Chemistry,2009,vol. 79,p. 985 - 990

44
[ 1435-48-9 ]
[ 123-08-0 ]
[ 78725-51-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 3390 - 3394

45
[ 558-42-9 ]
[ 123-08-0 ]
[ 1107662-91-8 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium carbonate; In N,N-dimethyl-formamide; for 24h;Reflux;	Example 2A4-(2-Hydroxy-2-methylpropoxy)benzaldehyde5.00 g (40.94 mmol) of 4-hydroxybenzaldehyde, 4.44 g (40.94 mmol) of 1-chloro-2-methyl-2-propanol and 6.08 g (57.32 mmol) of sodium carbonate are initially charged in 50 ml of dry DMF and stirred under reflux for 24 h.After cooling to RT, 20 ml of ethyl acetate and 20 ml of sat. aqueous sodium bicarbonate solution are added.The phases are separated, and the organic phase is dried over magnesium sulfate.After removal of the solvent, the residue is purified by column chromatography on silica gel 60 (mobile phase gradient: cyclohexane/ethyl acetate 5:1?1:1).This gives a reddish solid which is used without further purification for the subsequent step.Yield: 4.40 g (50percent of theory, 90percent purity)LC-MS (method 2): Rt=1.37 min; MS (ESIpos): m/z=195 [M+H]+.
	With sodium carbonate; In N,N-dimethyl-formamide; at 130℃;	5 g (40.94 mmol) of 4-hydroxybenzaldehyde were initially charged in 50 ml of DMF. 4.45 g (40.94 mmol) of 1-chloro-2-methylpropan-2-ol and 6.08 g (57.32 mmol) of sodium carbonate were added, and the mixture was then stirred at 130° C. overnight. Saturated aqueous sodium bicarbonate solution/ethyl acetate were added to the reaction mixture. The precipitate was filtered off and discarded. The two phases were separated from one another, and the aqueous phase was extracted three times with ethyl acetate. The combined organic phases were dried over magnesium sulfate, filtered and concentrated using a rotary evaporator. The residue was purified by column chromatography on silica gel 60 (mobile phase: cyclohexane/ethyl acetate 5/1?1/2). Yield: 8.6 g (82percent of theory, 76percent pure) LC-MS (Method 4): Rt=1.17 min; MS (ESIpos): m/z=195 [M+H]+. 1H NMR (400 MHz, DMSO-d6): delta=9.87 (s, 1H), 7.86 (d, 2H), 7.12 (d, 2H), 4.70 (s, 1H), 3.84 (s, 2H), 1.21 (s, 6H).

Reference： [1]Patent: US2011/130377,2011,A1 .Location in patent: Page/Page column 19
[2]Patent: US2013/210795,2013,A1 .Location in patent: Paragraph 0402-0406

46
[ 123-08-0 ]
[ 22532-60-1 ]

Yield	Reaction Conditions	Operation in experiment
88%	With 1,2-diphenyl-1,1,2,2-tetrahydroperoxyethane; hydrogen bromide; In water; acetonitrile; at 20℃; for 2.5h;	General procedure: To a solution of aniline/phenol (1 mmol) in CH3CN (4 mL), HBr and THPDPE (depending on the substrate as shown in Table 7) were added and the solution was stirred at room temperature. After the reaction was completed, Na2SO3 (3M, 1mL) was added to the stirring mixture followed by the addition of H2O (10 mL). The solution was stirred until the desired precipitates appeared. The products were filtered and more purification was carried out using silica- packed column chromatography (Hexane?EtOAc). All of the products were characterized on the basis of their melting points, IR, 1H NMR, and 13C NMR spectral analysis and compared with those reported
	With bromine; acetic acid; at 100℃; for 0.25h;	First, take into 100g of phenol in the reaction vessel, to which was added the CH 25 3I solution until completely dissolved phenol solution, then added thereto 10g of sodium hydroxide, stir, using a mixed gas of the container was sealed and pressurized to 0.8MPa, reaction at 40 1.5h, after the standing was right methylphenol; then on each apparatus with a stirrer, a condenser, a dropping funnel and a thermometer four flask at room temperature, poured into the above obtained methyl phenol, to which was added to the resulting methyl phenol mass 0.5 times CaO2And 0.4 times the magnesium oxide to elevate the temperature to 35 , stir quickly sealed container, in the 10s the pressure vessel as to the standard atmospheric pressure, the reaction after 45min, to obtain p-hydroxybenzaldehyde; subsequently obtained in the above hydroxybenzaldehyde and immediately added 150mL mass concentration of 37percent HAC solution and 120mL of bromine liquid, stir and stand for 15min, then placed in a blender, set the speed to 400r / min, the temperature is set to 100 , until the liquid container is less than 1/3 of its original volume, speed and stopping heating, cooled to room temperature, to give 2-bromo-hydroxybenzaldehyde; thereafter the resultant 2-bromo-hydroxybenzaldehyde was cooled to -3 after the negative pressure 1.5MPa added dropwise with stirring 120mL of nitroethane, dropping to 3 drops per second, after the completion of the dropwise addition the reaction was stirred at 2 2h, then increase normal temperature, and filtered to give 2- nitro-1- (2-bromo-4-hydroxy) propylene benzene; Next after filtration to give 2-nitro-1- (2-bromo-4-hydroxy) propylene benzene placed again after disinfection, means with a stirrer, a condenser, a dropping funnel and a thermometer, 4-neck flask, while adding 0.5g of Fe, heated to 105 deg.] C, then again in the form of added dropwise 60mL mass concentration of 40percent HCl solution, 3min the completion of the dropwise addition, stirring evenly, sealed reaction 2h, then cooled to room temperature, to obtain 2-bromo-4-hydroxyphenyl acetone; Finally, the 2-bromo-4-hydroxyphenyl acetone at a pressure of 0.6MPa, a temperature condition is 110 , was added 35mL of CH3OH solution and 50mL of PCl3Solution, and the pH was adjusted to 6.5, after mixing evenly, increasing the temperature to 115 deg.] C, reaction was continued for 2h, cooled, filtered and dried to give 2-methoxy-4-hydroxyphenyl acetone.This unique and novel method, during the operation without the environmental pollution, the reaction process easy, moderate, so that the finally obtained 2-methoxy-4-hydroxyphenyl acetone 7.4g, yield of 90percent.

Reference： [1]Tetrahedron,2018,vol. 74,p. 6584 - 6592
[2]Organic Letters,2011,vol. 13,p. 3686 - 3689
[3]Patent: CN105418399,2016,A .Location in patent: Paragraph 0005; 0012

47
[ 15499-84-0 ]
[ 123-08-0 ]
[ 468091-41-0 ]

Reference： [1]Reactive and functional polymers,2010,vol. 70,p. 815 - 826

48
[ 123-08-0 ]
[ 3939-12-6 ]
[ 676501-68-1 ]

Reference： [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 8000 - 8012

49
[ 123-08-0 ]
[ 23795-02-0 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 1267 - 1270
[2]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 1278 - 1283
[3]Molecules,2018,vol. 23

50
[ 4876-10-2 ]
[ 123-08-0 ]
[ 1041095-99-1 ]

Reference： [1]Monatshefte fur Chemie,2012,vol. 143,p. 1075 - 1086

51
[ 57497-39-9 ]
[ 123-08-0 ]
[ 93376-44-4 ]

Yield	Reaction Conditions	Operation in experiment
35%	With sodium hydrogencarbonate; In ethanol; at 100℃; for 0.166667h;Microwave irradiation;	General procedure: A mixture of the corresponding hydroxy benzaldehyde (1 equiv), N-tert-buthyl hydroxylamine hydrochloride (1.1 equiv), and sodium bicarbonate (1.1 equiv) in absolute ethanol (5 mL/mmol) as solvent was heated under microwave irradiation until the carbonyl compound was not present or there was no progress in the reaction (checked by TLC). The solvent was removed in vacuo and the reaction mixture diluted with H2O and extracted with EtOAc. After the workup of the combined organic layers, the residue was purified by column chromatography (SiO2, mixtures of petroleum ether/EtOAc).

Reference： [1]European Journal of Medicinal Chemistry,2012,vol. 58,p. 44 - 49

52
[ 36062-04-1 ]
[ 123-08-0 ]
[ 57-13-6 ]
[ 1432038-15-7 ]

Yield	Reaction Conditions	Operation in experiment
37%		General procedure: To a solution of the corresponding aromatic aldehyde (0.27 mmol) in EtOH (0.5 mL) was added urea (0.54 mmol) and CuSO4·5H2O (0.054 mmol). The mixture was stirred at 80 °C for 15 minutes before tetrahydrocurcumin or tetrahydrodemethoxycurcumin (0.27 mmol) was added. The reaction mixture was continued stirring for 24 hours and quenched with water (2 mL). The solution was washed with water (10 mL) and extracted with EtOAc (415 mL). The combined organic phases were washed with brine, dried over MgSO4 and concentrated under reduced pressure to afford crude product as a yellow brown oil. Purification was accomplished by column chromatography eluting with 60percent-75percent EtOAc/hexane to furnish compounds 8-17.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 2880 - 2882

53
[ 7478-69-5 ]
[ 123-08-0 ]
C₄₃H₄₈N₄O [ No CAS ]

Reference： [1]Chemistry - A European Journal,2013,vol. 19,p. 9481 - 9484

54
[ 19210-21-0 ]
[ 123-08-0 ]
[ 1353657-21-2 ]

Yield	Reaction Conditions	Operation in experiment
65%	With sodium carbonate; In 2-methyl-propan-1-ol; N,N-dimethyl-formamide; at 130℃; for 20.0h;	Under argon, 785 mg (6.43 mmol) of 4-hydroxybenzaldehyde and 759 mg (8.04 mmol) of <strong>[19210-21-0](S)-(+)-2-chloro-1-propanol</strong> were initially charged in 15.7 ml of DMF. 2.04 g (19.3 mmol) of sodium carbonate were added, and the mixture was then stirred at 130 C. for 20 h. The reaction mixture was purified by preparative HPLC (Chromasil, water/acetonitrile). Yield: 755 mg (65% of theory) LC-MS (Method 2): Rt=1.58 min; MS (ESIpos): m/z=181 [M+H]+.

Reference： [1]Patent: US2013/210795,2013,A1 .Location in patent: Paragraph 0386-0389

55
[ 123-08-0 ]
[ 163222-32-0 ]

Reference： [1]Journal of Organic Chemistry,2013,vol. 78,p. 7048 - 7057
[2]Journal of Organic Chemistry,2013,vol. 78,p. 7048 - 7057
[3]Journal of Organic Chemistry,2013,vol. 78,p. 7048 - 7057
[4]Journal of Organic Chemistry,2013,vol. 78,p. 7048 - 7057
[5]Patent: CN106397292,2017,A

56
[ 123-29-5 ]
[ 123-08-0 ]
[ 525565-93-9 ]

Reference： [1]Journal of the Chemical Society of Pakistan,2013,vol. 35,p. 929 - 937

57
[ 123-08-0 ]
[ 2538-87-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2014,vol. 24,p. 2839 - 2844
[2]European Journal of Organic Chemistry,2017,vol. 2017,p. 5204 - 5213

58
[ 123-08-0 ]
[ 68858-21-9 ]

Reference： [1]Main Group Metal Chemistry,2015,vol. 38,p. 157 - 164

59
[ 123-08-0 ]
[ 13214-64-7 ]
(4Z)-2-(4-methoxyphenyl)-4-[(4-Hydroxyphenyl)methylidene]-1,3-oxazol-5(4H)-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
56%	With potassium acetate; acetic anhydride; at 100℃;Inert atmosphere;	General procedure: Aromatic aldehyde (1 equiv.) was added to the solution of hippuric acid (1 equiv.) and potassium acetate (1 equiv.) in acetic anhydride under stirring. The mixture was refluxed under argon for 2?4 h at 100 °C and then cooled for the product precipitation. The precipitate was filtered, washed by distilled water and ether and dried on air.

Reference： [1]Medicinal Chemistry Research,2016,vol. 25,p. 1239 - 1249

60
[ 16750-67-7 ]
[ 123-08-0 ]
C₄₁H₃₈BrNO₁₀ [ No CAS ]

Reference： [1]Patent: JP5660812,2015,B2

61
[ 16750-67-7 ]
[ 123-08-0 ]
C₁₃H₁₀BrNO₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In toluene; for 2h;Inert atmosphere; Dean-Stark; Reflux;	(1) 4-hydroxybenzaldehyde 7.32g (60mmol) in 30 ml toluene was added to three-necked flask. <strong>[16750-67-7]4-amino-o-bromophenol</strong> 11.3 g (60mmol) was added after raising an internal temperature to 40degrees C under a nitrogen atmosphere. Then, refluxed for 2 hours, water and toluene were made to distill off completely in Dean Stark equipment, and the yellow solid was obtained. This solid was dissolved completely in THF 50ml (it is considered as the solution A). (2) Separately, MsCl 10.2ml (132mmol) and THF 20ml were added in the three-necked flask,and it dipped in ice and a methanol, and made the internal temperature into -5 degree C. In this solution, an internal temperature was maintained at 5 degrees C or less, 4-acryloyloxy benzoicacid 31.7g (120mmol)/diisopropylethylamine. (Hereinafter, it is referred to as DIPEA) and 26.1 ml (150mmol) / 2,6-di-tert-butyl-4-methylphenol0.30 g/THF 70ml was added. After keeping this solution at 5 degrees C or less and stirred for 2 hours, the prepared solution A, DIPEA 26.1ml (150mmol), DMAP 0.15g, and (1) was added in this order (an internal temperature is maintained at 5 degrees C or less). Reaction temperature was increased to 25 degrees C, and stirred for 2-hour, 10 ml of methanol was added and quenched. After having added ethyl acetate/pure water, separating liquids and drying anorganic layer with sodium sulfate, it condensed and obtained the crude crystal. This crude crystal was recrystallized with ethyl acetate/methanol, and the compound (I-2) which is a whitesolid was obtained at 29.7 g (63% of yield).

Reference： [1]Patent: JP5660812,2015,B2 .Location in patent: Paragraph 0079; 0080

62
[ 855300-09-3 ]
[ 123-08-0 ]
(E)-3-(3-(4-hydroxyphenyl)acryloyl)phenyl N-ethyl-N-methylcarbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
12.8%	With hydrogenchloride; In ethanol; water; at 20℃; for 120h;	At room temperature,(0.4425 g, 2 mmol) of intermediate M4 and (0.2928 g, 2.4 mmol) of p-hydroxybenzaldehyde was dissolved in 15 ml of ethanol with stirring,To this was added dropwise 10 drops of concentrated hydrochloric acid,Stirring at room temperature 120h,The solvent was removed by concentration in vacuo,90 ml of methylene chloride and 90 ml of water were added,The organic phase was collected,Dried over anhydrous magnesium sulfate,Filtration, concentration, drying in a yellow solid, theColumn chromatography (petroleum ether: ethyl acetate = 6: 1 to 4: 1) afforded 100 mg of the product as a pale yellow solid in 12.8percent yield.
12.8%	With hydrogenchloride; In ethanol; water; at 20℃;	General procedure: M1-M8 (2 mmol) and p-hydroxybenzaldehyde (2.4 mmol) was dissolved in 10 mL ethanol, 10 drops concentrated hydrochloric acid was added dropwise at room temperature. The reaction was stirred at room temperature. The reaction was monitored by TLC. After the completion of the reaction, excess solvent was evaporated in vacuo. Then the solution was partitioned between 90 mL water and 90 mL methylene chloride. The organic layer was dried over MgSO4, filtered, and concentrated in vacuo to provide a crude product which was purified by flash column chromatography on silica gel (eluent: Ethyl acetate/petroleum) to afford the desired product.

Reference： [1]Patent: ,2016, .Location in patent: Paragraph 0183; 0184; 0185
[2]Bioorganic and Medicinal Chemistry,2017,vol. 25,p. 360 - 371

63
[ 123-08-0 ]
[ 2221-00-3 ]
[ 134-81-6 ]
4-{4,5-diphenyl-1-[4-(1H-imidazol-1-yl)phenyl]-1H-imidazol-2-yl}phenol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
56%	With bismuth (III) nitrate pentahydrate; ammonium acetate; silica gel; In neat (no solvent); at 110℃; for 24h;	General procedure: A mixture of N-(4-aminophenyl) azoles 2a-d (1 mmol), benzil (1 mmol, 0.21 g), aromatic aldehyde (1 mmol), and ammonium acetate (1 mmol, 0.077 g) was stirred vigorously. Bi(NO3)3*5H2O (0.15 mmol, 0.073 g, 15 mol%) and SiO2 (0.5 g) were mixed effectively and added to the mixed reactants. The resulting mixture was heated at 110 C for 24 h. Acetone (50 mL) was then added and the mixture was stirred at 50 C for 10 min. Filtering the hot mixture and then concentration of the filtrate produced the crude product. Recrystallization of the crude products in 96% EtOH gave the desired product 3-5.

Reference： [1]Turkish Journal of Chemistry,2016,vol. 40,p. 729 - 741

64
[ 78364-55-3 ]
[ 123-08-0 ]
C₁₄H₁₀FN₃OS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol; at 70 - 80℃; for 3h;	General procedure: The mixture of <strong>[78364-55-3]6-fluoro-2-hydrazinylbenzo[d]thiazole</strong> (2) (0.01 mol) and benzalde-hyde/substituted benzaldehyde (0.01 mol) was reuxed in ethanol (15 ml) at 70?80 °C for 3 h. The separated product obtained was ltered off, washed withdistilled water and recrystallized from methanol to give the correspondinghydrazone. The product obtained was further dissolved in acetic acid (20 ml) atroom temperature followed by the addition of sodium acetate (0.5 g). Bromine(2 mmol) in acetic acid (10 ml) was added dropwise to the reuxing reactionmixture. After 1 h, the mixture was poured onto crushed ice (100 g). The precipitateobtained was ltered off and crystallized from ethanol-dimethylformamide (1:1) togive crystals of (3a?3t).

Reference： [1]Research on Chemical Intermediates,2016,vol. 42,p. 8329 - 8344

65
[ 123-08-0 ]
[ 68827-43-0 ]
2-(4-Hydroxy-phenyl)-3H-benzoimidazole-5-carboxamidine [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,2017,vol. 137,p. 196 - 210

66
[ 123-08-0 ]
[ 68827-43-0 ]
2-[4-(7-chloroquinolin-4-yloxy)phenyl]-1H-benzo[d]imidazole-6-carboximidamide trihydrochloride [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,2017,vol. 137,p. 196 - 210

67
[ 123-08-0 ]
[ 83883-26-5 ]
[ 175798-17-1 ]

Yield	Reaction Conditions	Operation in experiment
57 g	With dmap; diisopropyl-carbodiimide; In dichloromethane;Inert atmosphere;	Under a nitrogen atmosphere, 50.0 g of the compound represented by the formula (I-1-1), 20.9 g of the compound represented by the formula (I-1-2), N, N-dimethylaminopyridine And 300 mL of dichloromethane were added. 25.9 g of diisopropylcarbodiimide was added dropwise and stirredIt was. After usual work-up, purification was carried out by column chromatography and recrystallization to obtain 57.0 g of a compound represented by the formula (I-1-3).
4.3 g	With dmap; diisopropyl-carbodiimide; In dichloromethane; at 20℃;Cooling with ice; Inert atmosphere;	In a nitrogen atmosphere, 4.0 g of a compound represented by the formula (I-114-1), 1.7 g of a compound represented by the formula (I-114-2), 0.3 g of N,N-dimethylaminopyridine, and 30 mL of dichloromethane were put in a reactor. With cooling with ice, 2.1 g of diisopropylcarbodiimide was dropwise added thereto and stirred at room temperature. The precipitate was taken out through filtration, and the filtrate was washed with hydrochloric acid, water and salt solution. This was purified through column chromatography (silica gel) and recrystallization (dichloromethane/methanol) to give 4.3 g of a compound represented by the formula (I-114-3).

Reference： [1]Patent: JP2016/193869,2016,A .Location in patent: Paragraph 0099; 0100
[2]Patent: US2018/22716,2018,A1 .Location in patent: Paragraph 0289

68
[ 7474-78-4 ]
[ 123-08-0 ]
2-(4-hydroxyphenyl)-1H-benzimidazole-5-sulfonic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium metabisulfite; In ethanol; water; for 24h;Reflux;	General procedure: To a solution of the appropriate 3,4-diaminobenzene derivative (1ad)(2 mmol) in ethanol (15 mL) 2.85 N aqueous solution of sodium metabisulphite (1.6 mL) and the appropriate substituted arylaldehyde(2 mmol) were added. The reaction mixture was heated at reflux for 24 h. The solvent was then evaporated under reduced pressure. The residue was added with HCl 1 N (10 mL), the formed precipitate was filtered off, washed with water (3×10 mL) and purified by crystallization from the adequate solvent to give the title compounds.Following the general procedure benzimidazoles 3 [19], 4 [20], 5 [21],7 [24], 6, 32 and 33 [15] were prepared and their analytical and spectral data are in agreement with those reported in literature.

Reference： [1]Journal of Enzyme Inhibition and Medicinal Chemistry,2017,vol. 32,p. 527 - 537
[2]Bioorganic Chemistry,2019

69
[ 54396-44-0 ]
[ 123-08-0 ]
[ 868-85-9 ]
dimethyl ((4-hydroxyphenyl)((2-methyl-3-(trifluoromethyl)phenyl)amino)methyl)phosphonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
94%	With chitosan; In neat (no solvent); at 75℃; for 0.0666667h;Microwave irradiation; Green chemistry;	General procedure: An equimolar mixture of <strong>[54396-44-0]2-methyl-3-(trifluoromethyl)aniline</strong> (0.351 g, 0.002 mol), corresponding aldehyde (0.002 mol), dimethyl phosphite (0.18 ml, 0.002 mol) and chitosan catalyst (10 molpercent) were taken in a reaction glass tube, degassed for 10 min and microwave irradiated at 180 W for 2 min at 60 °C. The progress of the reaction was monitored by TLC using petroleum ether and ethyl acetate (3:7) as solvent. After completion of the reaction, the mixture was diluted with ethyl acetate, washed with water (2 x 15 ml) followed by brine (1 x 10 ml), dried over Na2SO4 and evaporated to dryness. The crude mass was purified by column chromatography on silicagel (100-200 mesh) by using a 7:3 mixture of ethyl acetate in hexane to afford the pure alpha-aminophosphonates.

Reference： [1]Research on Chemical Intermediates,2017,vol. 43,p. 7087 - 7103

70
[ 568-73-0 ]
[ 123-08-0 ]
C₂₅H₁₈N₂O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75%	With ammonium acetate; In ethanol; for 6.0h;Reflux; Sealed tube;	General procedure: Solution of tanshinones (0.1 mmol), aryl aldehyde (0.2 mmol, 2 eq) and aminoacetate (0.4 mmol, 4 eq) in EtOH (0.1 M) was heated to reflux for 6 hours. After TLC monitoring showed the completion of the reaction, the solvent was evaporated and the residue was subjected to PTLC isolation (Pet/EtOAc=2/1).

Reference： [1]Tetrahedron Letters,2018,vol. 59,p. 46 - 48

71
[ 1878-71-3 ]
[ 123-08-0 ]
(Ε)-3-(4-hydroxystyryl)benzonitrile [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2018,vol. 16,p. 3741 - 3753

72
[ 1878-71-3 ]
[ 123-08-0 ]
C₃₀H₂₀N₂O₂ [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2018,vol. 16,p. 3741 - 3753

73
[ 224635-40-9 ]
[ 931-53-3 ]
[ 4755-72-0 ]
[ 123-08-0 ]
1-cyclohexyl-3-(4-hydroxyphenyl)-4-(4-(2-oxomorpholino)phenyl)-6-phenylpiperazine-2,5-dione [ No CAS ]

Reference： [1]Arkivoc,2018,vol. 2018,p. 174 - 183

74
[ 224635-40-9 ]
[ 931-53-3 ]
[ 4755-72-0 ]
[ 123-08-0 ]
2-chloro-N-(2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl)-N-(4-(2-oxomorpholino)phenyl)-2-phenylacetamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
79%		General procedure: General Procedure for the Synthesis of IMCR Products 1a-f. A mixture of aromatic amine (1 mmol) andaromatic aldehyde (1 mmol) stirred at room temperature in methanol (3 mL) for 5 to 10 min afforded Schiffbase which further undergoes the reaction with chloroacetic acid (1 mmol) and isocyanide (1 mmol) at roomtemperature to gives 1a-f in affordable yields. After stirring at room temperature for 24 h, the solid wasfiltered out to obtain crude products then wash with 1-2 mL chilled methanol for purification which is ready touse for the next step.A post Ugi cyclisation of 1a-f were carried out by use of efficient reaction conditions by utilizing dry K2CO3 (2mmol), as a base and DMF (2 mL) solvent respectively under room temperature with portion wise addition of1a-f for 10 min which further heated at 100 oC for 2-4 hrs. The reacNon is monitored by TLC, aOer compleNonof reaction the resulting mixture was cooled to room temperature and poured on crushed ice. Collect solidand the residue was purified by flash column chromatography on silica gel by using hexane: EtOAc (95:5) as aeluent to afford the corresponding products 2a-f in 71-80% yields.

Reference： [1]Arkivoc,2018,vol. 2018,p. 174 - 183

75
[ 1074-41-5 ]
[ 123-08-0 ]
[ 126-81-8 ]
5-(4-hydroxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
74%	In water; at 80 - 90℃;	General procedure: A mixture of 1 mmol of the corresponding 6-aminopyrimidine,1 mmol of aldehyde, 1 mmol of 5,5-dimethylcyclohexane-1,3-dione 3 and 0.075 g (0.33 mmol)of triethylbenzylammonium chloride in 10 mL of water was stirred at 80-90 C for 12-20 h. After cooling to room temperature, the precipitate was filtered off, washed with alcohol and, if necessary,recrystallized from DMF or DMF-alcohol mixture.Compounds 4c, 4d, and 4i were obtained withoutthe use of a catalyst, the reaction time was 22-24 h.

Reference： [1]Russian Journal of General Chemistry,2018,vol. 88,p. 1114 - 1119
Zh. Obshch. Khim.,2018,vol. 88,p. 933 - 938,6

76
[ 123-08-0 ]
[ 4903-09-7 ]

Reference： [1]Patent: WO2009/158393,2009,A1

77
[ 123-08-0 ]
[ 13214-64-7 ]
C₁₇H₁₃NO₄ [ No CAS ]

Reference： [1]Bioorganic Chemistry,2019,vol. 82,p. 109 - 116

78
[ 123-08-0 ]
[ 61439-59-6 ]

Reference： [1]Chemical Communications,2018,vol. 54,p. 12002 - 12005

79
[ 39267-79-3 ]
[ 123-08-0 ]
4-(oxetan-3-yloxy)benzaldehyde [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
0.51 g	With caesium carbonate; In N,N-dimethyl-formamide; at 80℃;	p-Hydroxybenzaldehyde 0.5g (4mmol), cesium carbonate 0.5g (6mmol), <strong>[39267-79-3]3-bromo oxetane</strong> 0.5g (3.6 mmol), 5 ml of N,N-dimethylformamide was added to the reaction flask, and the reaction was carried out at 80 C overnight. Add water, extract, wash, dry and concentrate Column chromatography gave 0.51 g.

Reference： [1]Patent: CN108794517,2018,A .Location in patent: Paragraph 0145-0148

80
[ 1481-32-9 ]
[ 123-08-0 ]
6-fluoro-2-(4-hydroxybenzylidene)-2,3-dihydro-1H-inden-1-one [ No CAS ]

Reference： [1]Bulletin of the Korean Chemical Society,2018,vol. 39,p. 1432 - 1441

81
[ 383-29-9 ]
[ 123-08-0 ]
[ 161267-29-4 ]

Yield	Reaction Conditions	Operation in experiment
59%	With potassium carbonate; potassium iodide; In N,N-dimethyl acetamide; at 130℃; for 7h;	Step (1), 4,4'-difluorodiphenyl sulfone (0.20 mol, 50.85 g), P-hydroxybenzaldehyde (0.6 mol, 73.27 g), Potassium carbonate (0.60 mol, 82.93 g) And potassium iodide (0.02 mol, 3.32 g) was sequentially added to the reactor; Heated to 130 C in a solution of N,N'-dimethylacetamide (500 ml), Continue to react for 7 h. After the reaction is over, it will be cooled to room temperature. Water and a mixed solution of water and ethanol are separately precipitated, dry, The product of pale yellow solid, Compound 1, was obtained in a yield of 59%.

Reference： [1]Patent: CN108863988,2018,A .Location in patent: Paragraph 0007; 0029; 0030; 0033-0050

82
[ 2518-24-3 ]
[ 123-08-0 ]
C₁₅H₁₀N₂O₃ [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2019

83
[ 2518-24-3 ]
[ 123-08-0 ]
4-((4-hydroxybenzyl)amino)isoindoline-1,3-dione [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2019

84
[ 123-08-0 ]
[ 85013-98-5 ]
1-(4-trifluoromethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one [ No CAS ]

Reference： [1]Bulletin of the Korean Chemical Society,2019,vol. 40,p. 729 - 734

85
[ 500-98-1 ]
[ 123-08-0 ]
(Z)-2-benzoyl-5-(4-hydroxybenzylidene)-3-methyl-3,5-dihydro-4H-imidazol-4-one [ No CAS ]

Reference： [1]Chemistry - A European Journal,2019,vol. 25,p. 9592 - 9596

86
[ 500-98-1 ]
[ 123-08-0 ]
[ 74-89-5 ]
(Z)-2-benzyl-5-(4-hydroxybenzylidene)-3-methyl-3,5-dihydro-4H-imidazol-4-one [ No CAS ]

Reference： [1]Chemistry - A European Journal,2019,vol. 25,p. 9592 - 9596

87
[ 123-08-0 ]
[ 551-16-6 ]
4-(5-(5,5-dimethyl-2,5-dihydrothiazol-2-yl)-1H-imidazol-2-yl)phenol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
53%	With silica-gel-supported sulfuric acid; ammonium acetate; In neat (no solvent); at 130℃; for 3h;	General procedure: To a mixture of aldehyde (1 mmol), <strong>[551-16-6]6-aminopenicillinic acid</strong> (1 mmol), and ammonium acetate (3 mmol), SiO2*H2SO4 (0.025 g) was added and heated in an oil bath up to 130 C in appropriate times. After the completion of the reaction (TLC monitoring, EtOAc: hexane 10/90 v/v), the mixture was diluted in hot ethanol, solid was filtered, and products were purified by recrystallization in watery ethanol.

Reference： [1]Tetrahedron Letters,2019,vol. 60

88
[ 5464-79-9 ]
[ 123-08-0 ]
[ 68-11-1 ]
3-(4-methoxy-benzo[d]thiazol-2-yl)-2-(4-hydroxyphenyl)thiazolidin-4-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
29%	In ethanol; at 100℃; for 0.5h;Sealed tube; Microwave irradiation;	General procedure: All microwave irradiation experiments were carried out in CEM-Discover monomode microwavedevice, operating at a frequency of 2.45 GHz. Substituted aminobenzothiazole, equimolar amount ofsubstituted benzaldehyde (1.5 mmol) and mercaptoacetic acid in absolut ethanol (3 mL) were placed ina 10 mL reaction vial containing a stirring bar. The vial was sealed with a Teflon septum and placedinto the microwave cavity. It was irradiated at 100 C using 100 W as maximum power for 30 min.at the end of the reaction the mixture was rapidly cooled with gas jet cooling to room temperature.The clean product was obtained after filter under reduced pressure.

Reference： [1]Molecules,2019,vol. 24

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3-Fluorobenzyl alcohol

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Reason: Stable Isotope

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4-Hydroxy-Benzaldehyde-formyl-13C

Reason: Stable Isotope

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Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 123-08-0 ] {[proInfo.proName]}

Quality Control of [ 123-08-0 ]

Related Doc. of [ 123-08-0 ]

Product Details of [ 123-08-0 ]

Calculated chemistry of [ 123-08-0 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 123-08-0 ]

Application In Synthesis of [ 123-08-0 ]

[ 123-08-0 ] Synthesis Path-Downstream 1~88

Pharmaceutical Intermediates of [ 123-08-0 ]

Febuxostat Related Intermediates

Safinamide Related Intermediates

Similar Product of [ 123-08-0 ]

Related Functional Groups of [ 123-08-0 ]

Aryls

Aldehydes

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Pharmaceutical Intermediates of
[ 123-08-0 ]

Similar Product of
[ 123-08-0 ]

Related Functional Groups of
[ 123-08-0 ]