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[ CAS No. 877997-99-4 ] {[proInfo.proName]}

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2D 3D

Chemical Structure| 877997-99-4

Chemical Structure| 877997-99-4

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Quality Control of [ 877997-99-4 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 877997-99-4 ]

CAS No. :	877997-99-4	MDL No. :	MFCD26127250
Formula :	C₁₄H₁₄N₂O₆S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KOPRMBXEMNEOOQ-UHFFFAOYSA-N
M.W :	338.34	Pubchem ID :	86711696
Synonyms :

Calculated chemistry of [ 877997-99-4 ]

Physicochemical Properties

Num. heavy atoms :	23
Num. arom. heavy atoms :	11
Fraction Csp3 :	0.21
Num. rotatable bonds :	7
Num. H-bond acceptors :	7.0
Num. H-bond donors :	2.0
Molar Refractivity :	82.61
TPSA :	135.22 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.62 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.2
Log Po/w (XLOGP3) :	2.45
Log Po/w (WLOGP) :	1.71
Log Po/w (MLOGP) :	-0.23
Log Po/w (SILICOS-IT) :	2.27
Consensus Log Po/w :	1.68

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.37
Solubility :	0.143 mg/ml ; 0.000424 mol/l
Class :	Soluble
Log S (Ali) :	-4.93
Solubility :	0.00395 mg/ml ; 0.0000117 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-3.54
Solubility :	0.0983 mg/ml ; 0.00029 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.98

Safety of [ 877997-99-4 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 877997-99-4 ]

* 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.

Upstream synthesis route of [ 877997-99-4 ]
Downstream synthetic route of [ 877997-99-4 ]

[ 877997-99-4 ] Synthesis Path-Upstream 1~12

1
[ 118452-04-3 ]
[ 5722-93-0 ]
[ 877997-99-4 ]

Yield	Reaction Conditions	Operation in experiment
96.2%	With 4-methyl-morpholine; 2,4-diphenoxy-6-chloro-s-triazine In tetrahydrofuran at 20℃; for 3.33333 h; Cooling with ice	39.8 g of the preparation of Example 2-3Hydroxy-4,5-dimethoxybenzoic acid(0.2 mol), and 38 g of methyl 2-aminothiazole-4-carboxylate(0.24 mol)And 89.9 g4,6-diphenoxy-2-chloro-1,3,5-triazine(0.3 mol)Was suspended in a reaction flask equipped with 800 mL of tetrahydrofuran, and a mixed solution of 50.6 N-methylmorpholine (0.5 mol) and 200 mL of tetrahydrofuran was added dropwise with stirring in an ice-water bath. After completion of the dropwise addition over 20 minutes, stirring was continued for 1 hour, And the mixture was stirred at room temperature for 2 hours. Stirring was stopped, the reaction solution was added to the water beating, ice bath crystallization, filtration, drying under vacuum to obtain a white solid65.1 g of methyl 2 - [(2-hydroxy-4,5-dimethoxybenzoyl) amino] -4-thiazolecarboxylate was obtained in 96.2percent yield and HPLC purity of 99.8percent.

Reference： [1] Patent: CN106316979, 2017, A, . Location in patent: Paragraph 0050; 0051; 0052; 0053; 0054; 0055

2
[ 118452-04-3 ]
[ 877997-98-3 ]
[ 877997-99-4 ]

Yield	Reaction Conditions	Operation in experiment
11.9 g	With triphenylborane In toluene at 100 - 105℃; Inert atmosphere	250 ml reaction flask is added 2-hydroxy -4,5-dimethoxy-phenyl ester formate [formula (3)] (10.4g), AK01 (7.2g, , triphenyl borate (12.5g), toluene (50 ml), protection of nitrogen, the temperature rising to 100-105°C, thermal insulation reaction 3.5-4h, a sampling detection, the reaction is complete (if not the reaction is complete to continue to heat insulation reaction 0.5h) rear, cooling to 40-50°C, by adding methanol (100 ml), to continue cooling to 15-25°C, thermal crystallization 0.5-1h, filtering, the filter cake methanol 20 ml washing, drying, 40 °C blast drying to constant weight, receiving, shall be 2 - [(2-hydroxy -4,5-dimethoxy-benzoyl) amino] - 1,3-thiazole-4-carboxylic acid methyl ester 11.9 g.

Reference： [1] Patent: US2013/253222, 2013, A1, . Location in patent: Paragraph 0040; 0041
[2] Patent: CN105439977, 2016, A, . Location in patent: Paragraph 0018

3
[ 877997-98-3 ]
[ 877997-99-4 ]

Reference： [1] Patent: EP1792888, 2007, A1,

4
[ 118452-04-3 ]
[ 877997-99-4 ]

Reference： [1] Patent: EP1792888, 2007, A1,
[2] Patent: WO2006/22252, 2006, A1, . Location in patent: Page/Page column 13

5
[ 118452-04-3 ]
[ 877997-99-4 ]

Yield	Reaction Conditions	Operation in experiment
4.95 g	for 6 h; Reflux	Will be triphosgene 3.0g dissolved in 15ml CH2Cl2 placed in four bottles, N2 gas flow, 2-Hydroxy-4,5-dimethoxybenzoic acid (3.0 g) Dissolved in 30 ml of CH2Cl2 and 6 ml of pyridine, In the ice salt bath into the four bottles of temperature control 0-5 °C. 20min dropping finished, keep the low temperature stirring for 1h. And then stirred at room temperature (20 °C) overnight, After 24 hours to stop the reaction. At room temperature steamed to constant weight, A solution of 3.5 g of methyl 2-aminothiazole-4-carboxylate and 30 ml of 1,2-dichloroethane, Heated to reflux, reaction 6h. Stop after drying the solvent, Add 30ml methanol back to filter the white solid 4.1g, The mother liquor was evaporated to dryness and 20 ml of methanol was added to the filter to obtain 0.85 g of a white solid. The combined solid was 4.95 g and the yield was 97percent.

Reference： [1] Patent: CN103387552, 2016, B, . Location in patent: Paragraph 0031-0033

6
[ 5722-93-0 ]
[ 877997-99-4 ]

Reference： [1] Patent: US2013/253222, 2013, A1,
[2] Patent: CN105439977, 2016, A,
[3] Patent: CN103387552, 2016, B,

7
[ 93-07-2 ]
[ 877997-99-4 ]

Reference： [1] Patent: US2013/253222, 2013, A1,
[2] Patent: US2013/253222, 2013, A1,
[3] Patent: US2013/253222, 2013, A1,

8
[ 6286-46-0 ]
[ 877997-99-4 ]

Reference： [1] Patent: US2013/253222, 2013, A1,

9
[ 61203-48-3 ]
[ 877997-99-4 ]

Reference： [1] Patent: CN105439977, 2016, A,

10
[ 610-90-2 ]
[ 877997-99-4 ]

Reference： [1] Patent: CN106316979, 2017, A,

11
[ 28373-21-9 ]
[ 877997-99-4 ]

Reference： [1] Patent: CN106316979, 2017, A,

12
[ 877998-00-0 ]
[ 877997-99-4 ]

Reference： [1] Patent: WO2006/22252, 2006, A1, . Location in patent: Page/Page column 11

[ 877997-99-4 ] Synthesis Path-Downstream 1~16

1
[ 118452-04-3 ]
2-hydroxy-4,5-dimethoxybenzoic acid 4-nitrophenyl ester [ No CAS ]
[ 877997-99-4 ]

Yield	Reaction Conditions	Operation in experiment
80%	In methanol; 5,5-dimethyl-1,3-cyclohexadiene; argon;	Example 6 Synthesis of 2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4 -carboxylic acid methyl ester (5a) In 1 mL of xylene were suspended 200 mg of 2-hydroxy-4,5-dimethoxybenzoic acid 4-nitrophenyl ester and 119mg of 2-amino-1, 3-thiazole-4-carboxylic acidmethyl ester in a stream of argon, which was then heat stirred at 130C for 12 hours. The reaction liquid was allowed to stand to cool, to which 1 mL of methanol was then added, followed by heating to reflux for one hour. The resultant reaction liquid was allowed to stand to cool, followed by collecting the precipitated crystal by filtration at 30C or lower before drying under reduced pressure to provide 180 mg of the title compound (5a) at a yield of 80%.

Reference： [1]Patent: EP1792888,2007,A1
[2]Patent: WO2006/22252,2006,A1 .Location in patent: Page/Page column 13

2
[ 877997-99-4 ]
[ 121-05-1 ]
2-[N-(4,5-dimethoxy-2-hydroxybenzoyl)amino]-4-[(2-diisopropyl-aminoethyl)aminocarbonyl]-1,3-thiazole hydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
96.3%		A solution of methyl 2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate was placed in 10 ml of 1,4-dioxane four-neck bottle, N2 gas protection, 1.5 ml of N,N-diisopropylethylenediamine was added dropwise at 75 C, After the reaction was refluxed, the reaction was stirred for 6 hours. Stop the reaction, evaporate the solvent under reduced pressure, Add 30ml CH2Cl2 dissolved, Washed twice with 20 ml of 10% NaCl solution, And then evaporated to dry organic solvent. Add 10 ml of methanol, Add concentrated hydrochloric acid, adjust to strong acid. Steamed methanol, Washed with acetone, the product 2.08g, Yield 96.3%.

Reference： [1]Patent: WO2006/22252,2006,A1 .Location in patent: Page/Page column 13
[2]Patent: CN103387552,2016,B .Location in patent: Paragraph 0040-0042

3
[ 877998-00-0 ]
[ 877997-99-4 ]

Reference： [1]Patent: WO2006/22252,2006,A1 .Location in patent: Page/Page column 11

Yield	Reaction Conditions	Operation in experiment
		The drying under reduced pressure was further carried out at 100C to provide the title compound (5a). 1H-NMR(DMSO-d6,delta):3.79(s,3H),3.83(s,3H),3.84(s,3H),6.61(s,1H),7.63(s,1H),8.13(s,1H),11.77(s,1H),12.40(s,1H)

5
[ 877997-98-3 ]
[ 877997-99-4 ]

Yield	Reaction Conditions	Operation in experiment
55%	In methanol; 5,5-dimethyl-1,3-cyclohexadiene; argon;	Comparative Example 3 In 250 mg of xylene were suspended 250 mg of phenyl 2-hydroxy-4,5-dimethoxybenzoate (3a) and 144 mg of methyl 2-amino-1,3-thiazole-4-carboxylate(4a) in astream of argon, which was then heated to reflux (at 140C) for 7 hours. The reaction was not completed. After cooling, methanol was added, followed by stirring for one hour. The precipitated crystal was collected by filtration and dried under reduced pressure at 60C to provide 170 mg of the same compound (5a) as that of Example 4 at a yield of 55%.

Reference： [1]Patent: EP1792888,2007,A1

6
[ 5722-93-0 ]
[ 877997-99-4 ]

Reference： [1]Patent: US2013/253222,2013,A1
[2]Patent: CN105439977,2016,A
[3]Patent: CN103387552,2016,B

7
[ 118452-04-3 ]
[ 877997-98-3 ]
[ 877997-99-4 ]

Yield	Reaction Conditions	Operation in experiment
	With triphenylborane; In toluene; at 100℃; for 3.0h;Inert atmosphere;	(2) Phenyl 2-hydroxy-4,5-dimethoxybenzoate (5.0 g), methyl 2-amino-1,3-thiazole-4-carboxylate (3.75 g), and (PhO)3B (5.49 g) were suspended in toluene (25 g) under a stream of argon, and the resultant suspension was stirred under heating at 100 C. for three hours. Methanol (25 g) was added dropwise to the reaction mixture at 70 C., and then the resultant mixture was refluxed for one hour. The mixture was cooled, and stirred at 30 C. or lower for one hour. Thereafter, the precipitated crystals were filtrated, and then dried at 60 C. under reduced pressure, to thereby produce 2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid methyl ester monomethanol solvate (6.49 g) at a yield of 96%. The 2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid methyl ester monomethanol solvate was found to have a purity of 99.78% as determined through HPLC (i.e., very high purity). [0041] 1H-NMR(DMSO-d6, delta): 3.19(s,3H), 3.79(s,3H), 3.83(s,3H), 3.84(s,3H), 4.05-4.15(bs,1H), 6.61(s,1H), 7.63(s,1H), 8.13(s,1H), 11.77(s,1H), 12.40(s,1H). [0042] Furthermore, drying was carried out at 100 C. under reduced pressure, to thereby produce 2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid methyl ester. [0043] 1H-NMR(DMSO-d6, delta): 3.79(s,3H), 3.83(s,3H), 3.84(s,3H), 6.61(s,1H), 7.63(s,1H), 8.13(s,1H), 11.77(s,1H), 12.40(s,1H).
11.9 g	With triphenylborane; In toluene; at 100 - 105℃;Inert atmosphere;	250 ml reaction flask is added 2-hydroxy -4,5-dimethoxy-phenyl ester formate [formula (3)] (10.4g), AK01 (7.2g, , triphenyl borate (12.5g), toluene (50 ml), protection of nitrogen, the temperature rising to 100-105C, thermal insulation reaction 3.5-4h, a sampling detection, the reaction is complete (if not the reaction is complete to continue to heat insulation reaction 0.5h) rear, cooling to 40-50C, by adding methanol (100 ml), to continue cooling to 15-25C, thermal crystallization 0.5-1h, filtering, the filter cake methanol 20 ml washing, drying, 40 C blast drying to constant weight, receiving, shall be 2 - [(2-hydroxy -4,5-dimethoxy-benzoyl) amino] - 1,3-thiazole-4-carboxylic acid methyl ester 11.9 g.

Reference： [1]Patent: US2013/253222,2013,A1 .Location in patent: Paragraph 0040; 0041
[2]Patent: CN105439977,2016,A .Location in patent: Paragraph 0018

8
[ 877997-99-4 ]
[ 121-05-1 ]
N-[2-(diisopropylamino)ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide hydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
97%		(3) The <strong>[877997-99-4]2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid methyl ester</strong> (10.81 g) was suspended in toluene (30 mL), and diisopropylethylenediamine was added dropwise at 70 C. under a stream of argon. Thereafter, the resultant mixture was stirred under heating at 100 C. for five hours. The resultant reaction mixture was cooled, and 10% (w/w) aqueous sodium chloride solution (20 mL) was added to the mixture at 75 C., followed by extraction operation. This operation was carried out once again. After removal of the resultant aqueous layer, toluene was distilled off under reduced pressure, and the residue was diluted with 80% (v/v) 2-propanol-water (38 mL). 35% Hydrochloric acid (9.22 g) was added dropwise to the diluted residue, to thereby precipitate N-[2-(diisopropylamino)ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide hydrochloride. The precipitated crystals were filtrated and washed with 2-propanol, and then dried at 50 C. under reduced pressure, to thereby produce N-[2-(diisopropylamino)ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide hydrochloride (14.45 g) at a yield of 97%. [0045] 1H-NMR(DMSO-d6, delta): 1.32(d,6H, J=6.4 Hz), 1.35(d,6H, J=6.4 Hz), 3.16-3.19(m,2H), 3.59-3.67(m,4H), 3.78(s,3H), 3.82(s,3H), 6.89(s,1H), 7.50(s,1H), 7.91(s,1H), 8.74(t,1H, J=5.9 Hz), 9.70(s,1H), 11.80(s,1H), 12.05-12.15(bs,1H).

Reference： [1]Patent: US2013/253222,2013,A1 .Location in patent: Page/Page column 0044; 0045

9
[ 93-07-2 ]
[ 877997-99-4 ]

Reference： [1]Patent: US2013/253222,2013,A1
[2]Patent: US2013/253222,2013,A1
[3]Patent: US2013/253222,2013,A1

10
[ 6286-46-0 ]
[ 877997-99-4 ]

Reference： [1]Patent: US2013/253222,2013,A1

11
[ 877997-99-4 ]
[ 121-05-1 ]
Acotiamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	at 90 - 100℃; for 4.5h;Inert atmosphere; Industrial scale;	10L is added to the reaction kettle 2 - [(2-hydroxy -4,5-dimethoxy-benzoyl) amino] - 1,3-thiazole-4-carboxylic acid methyl ester [formula (4)] (1.3120 kg), N, N-diisopropyl ethylenediamin (1.3120g), protection of nitrogen, raising the temperature to 90 C -100 C, thermal insulation reaction 4.5h, sampling HPLC detection, reaction to residues of raw materials is lower than 0.5% is the end point of the reaction, cooling to 90 C the following, adding water (13.1925 kg), thermal insulation 70-90 C stirring for 15 min the above-mentioned, to residues of raw materials is lower than 0.15% the following, to continue cooling to 40 C the following, by adding dichloromethane (17.4420 kg), extraction, collecting the organic phase, proper drying by anhydrous sodium sulfate, filtered, filtrate 50 C turns on lathe does, color oily shall be subcutaneous, not weighing direct access into salt of the next operation.
	In dimethyl sulfoxide; at 110℃; for 6.0h;Inert atmosphere;	A solution of methyl 2 - [(2-hydroxy-4,5-dimethoxybenzoyl) amino] -4-thiazolecarboxylic acid prepared in Example 3-1N-diisopropylethylenediamine (0.3 mol) was added thereto, and the mixture was heated to 110 C for 6 hours. The reaction mixture was heated at 110 C for 6 hours. The reaction was stopped, and the solvent was evaporated under reduced pressure. The residue was added with 300 mL of n-butanol, followed by washing successively with 10% sodium bicarbonate and saturated brine. After the washing, the organic phase was retained. To the resulting organic phase was added 150 mL of isopropanol. Followed by salt formation reaction, salt formation in the ice water bath conditions. The pH of the system was adjusted to 1 to 2 with concentrated hydrochloric acid. Stirring for 4 h, a white solid precipitated from the system. The solid was collected by filtration, dried and dried to give 72.9 g of white powdery solid amitriptyline hydrochloride trihydrate in a molar yield of 89.7%, an HPLC purity of 99.8% and a total impurity of less than 0.1%.

Reference： [1]Patent: CN105439977,2016,A .Location in patent: Paragraph 0020
[2]Patent: CN106316979,2017,A .Location in patent: Paragraph 0056; 0057; 0058; 0059; 0060; 0061

12
[ 61203-48-3 ]
[ 877997-99-4 ]

Reference： [1]Patent: CN105439977,2016,A

13
[ 118452-04-3 ]
[ 5722-93-0 ]
[ 877997-99-4 ]

Yield	Reaction Conditions	Operation in experiment
96.2%	With 4-methyl-morpholine; 2,4-diphenoxy-6-chloro-s-triazine; In tetrahydrofuran; at 20℃; for 3.33333h;Cooling with ice;	39.8 g of the preparation of Example 2-3Hydroxy-4,5-dimethoxybenzoic acid(0.2 mol), and 38 g of methyl 2-aminothiazole-4-carboxylate(0.24 mol)And 89.9 g4,6-diphenoxy-2-chloro-1,3,5-triazine(0.3 mol)Was suspended in a reaction flask equipped with 800 mL of tetrahydrofuran, and a mixed solution of 50.6 N-methylmorpholine (0.5 mol) and 200 mL of tetrahydrofuran was added dropwise with stirring in an ice-water bath. After completion of the dropwise addition over 20 minutes, stirring was continued for 1 hour, And the mixture was stirred at room temperature for 2 hours. Stirring was stopped, the reaction solution was added to the water beating, ice bath crystallization, filtration, drying under vacuum to obtain a white solid65.1 g of methyl 2 - [(2-hydroxy-4,5-dimethoxybenzoyl) amino] -4-thiazolecarboxylate was obtained in 96.2% yield and HPLC purity of 99.8%.

Reference： [1]Patent: CN106316979,2017,A .Location in patent: Paragraph 0050; 0051; 0052; 0053; 0054; 0055

14
[ 610-90-2 ]
[ 877997-99-4 ]

Reference： [1]Patent: CN106316979,2017,A

15
[ 28373-21-9 ]
[ 877997-99-4 ]

Reference： [1]Patent: CN106316979,2017,A

16
[ 118452-04-3 ]
C₁₀H₈O₆ [ No CAS ]
[ 877997-99-4 ]

Yield	Reaction Conditions	Operation in experiment
4.95 g	In 1,2-dichloro-ethane; for 6.0h;Reflux;	Will be triphosgene 3.0g dissolved in 15ml CH2Cl2 placed in four bottles, N2 gas flow, 2-Hydroxy-4,5-dimethoxybenzoic acid (3.0 g) Dissolved in 30 ml of CH2Cl2 and 6 ml of pyridine, In the ice salt bath into the four bottles of temperature control 0-5 C. 20min dropping finished, keep the low temperature stirring for 1h. And then stirred at room temperature (20 C) overnight, After 24 hours to stop the reaction. At room temperature steamed to constant weight, A solution of 3.5 g of methyl 2-aminothiazole-4-carboxylate and 30 ml of 1,2-dichloroethane, Heated to reflux, reaction 6h. Stop after drying the solvent, Add 30ml methanol back to filter the white solid 4.1g, The mother liquor was evaporated to dryness and 20 ml of methanol was added to the filter to obtain 0.85 g of a white solid. The combined solid was 4.95 g and the yield was 97%.

Reference： [1]Patent: CN103387552,2016,B .Location in patent: Paragraph 0031-0033

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[ 118452-04-3 ]

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[ 93-07-2 ]

3,4-Dimethoxybenzoic acid

[ 5722-93-0 ]

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[ 5398-36-7 ]

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Amines

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Related Parent Nucleus of
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Ghs Precautionary Statements

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

Ghs Hazard Statements

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