[ CAS No. 1192755-14-8 ] {[proInfo.proName]}

Name: 1192755-14-8|2-(Benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|97%
Brand: Ambeed
SKU: A145167
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Quality Control of [ 1192755-14-8 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 1192755-14-8 ]

Product Details of [ 1192755-14-8 ]

CAS No. :	1192755-14-8	MDL No. :	MFCD13810042
Formula :	C₁₄H₁₇BO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DNZVVIZYTCIYNY-UHFFFAOYSA-N
M.W :	244.09	Pubchem ID :	45790048
Synonyms :

Calculated chemistry of [ 1192755-14-8 ]

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.43
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	72.69
TPSA :	31.6 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.44 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	3.31
Log Po/w (WLOGP) :	2.73
Log Po/w (MLOGP) :	1.49
Log Po/w (SILICOS-IT) :	2.29
Consensus Log Po/w :	1.97

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.74
Solubility :	0.0441 mg/ml ; 0.000181 mol/l
Class :	Soluble
Log S (Ali) :	-3.65
Solubility :	0.0547 mg/ml ; 0.000224 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.89
Solubility :	0.00313 mg/ml ; 0.0000128 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.41

Safety of [ 1192755-14-8 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 1192755-14-8 ]

* 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 [ 1192755-14-8 ]

[ 1192755-14-8 ] Synthesis Path-Downstream 1~17

1
[ 884494-49-9 ]
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran [ No CAS ]
4-(1-benzofuran-7-yl)-2-chloro-5-fluoropyridine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
930 mg	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate; In 1,2-dimethoxyethane; water; at 20℃; for 17h;Inert atmosphere;	Under an atmosphere of argon, a mixture of <strong>[884494-49-9]2-chloro-5-fluoro-4-iodopyridine</strong> (1.29 g; 4.77 mmol; Manchester Organics, CAS 884494-49-9), 7-(4,4,5,5-tetramethyl-l,3,2-dioxaborolan-2-yl)-l- benzofuran (1 g; 3.97 mmol; Maybridge, CAS 1192755-14-8) and [l,l'-bis- (diphenylphosphino)ferrocene]dichloropalladium(II) dichloromethane complex (325 mg; 0.397 mmol; Aldrich Chemical Company Inc.) in an aqueous 2M solution of potassium carbonate (11.9 mL) and 1,2- dimethoxyethane (20.6 mL) was stirred for 17 hours at ambient temperature. The batch was poured into water and diluted with ethyl acetate. After phase separation the aqueous layer was extracted with ethyl acetate. The combined organic layers were washed with diluted aqueous sodium chloride solution and dried over sodium sulfate. After evaporation the residue was purified by column chromatography on silica gel (hexane / dichloromethane) to yield the title compound (930 mg; 3.76 mmol). (0503) -NMR (400 MHz, DMSO-d6): delta [ppm] = 8.63 (d, 1H), 8.10 (d, 1H), 7.90 (d, 1H), 7.85 (dd, 1H), 7.56- 7.52 (m, 1H), 7.46-7.39 (m, 1H), 7.10 (d, 1H).

Reference： [1]Patent: WO2015/136028,2015,A1 .Location in patent: Page/Page column 71

2
[ 884494-49-9 ]
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran [ No CAS ]
4-(1-Benzofuran-7-yl)-5-fluoro-N-{4-[(methylsulfonyl)methyl]pyridin-2-yl}pyridin-2-amine [ No CAS ]

Reference： [1]Patent: WO2015/136028,2015,A1

3
[ 1589518-11-5 ]
[ 1192755-14-8 ]
[ 2122210-52-8 ]

Yield	Reaction Conditions	Operation in experiment
67%	With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ In toluene at 80℃; for 8h;	1.4 Preparation of [1- (7'-benzofuranyl) -2-naphthyl] diphenylphosphine oxide To the reaction flask was added 375 mg (0.92 mmol) of the compound represented by the formula (V), 449 mg (1.84 mmol) of benzofuran-7-boronic acid pinacol ester, 585 mg (2.76 mmol) of potassium phosphate, 42 mg (0.046 mmol) of Pd2 (dba) 3 and 38 mg (0.092 mmol) of Sphos were added and a mixed solvent prepared from 7 mL of toluene and 0.7 mL of water was added,And the reaction mixture was heated to 80 ° C for about 8 hours. After the completion of the reaction, the reaction mixture was distilled off to remove the solvent, and then the crude product was purified by column chromatography to obtain 274 mg of the compound represented by the formula (VII) The yield was 67%.

Reference： [1]Current Patent Assignee: SUN YAT-SEN UNIVERSITY (CHINA) - CN106995461, 2017, A Location in patent: Paragraph 0060; 0074-0075

4
[ 1589518-12-6 ]
[ 1192755-14-8 ]
[ 2122210-53-9 ]

Yield	Reaction Conditions	Operation in experiment
61%	With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ In toluene at 80℃; for 8h;	2.4 Preparation of [1- (7'-benzofuranyl) -2-naphthyl] bis (4-methylphenyl) phosphine oxide To the reaction flask was added 400 mg (0.92 mmol) of the compound represented by the formula (V), 449 mg (1.84 mmol) of benzofuran-7-boronic acid pinacol ester, 585 mg (2.76 mmol) of potassium phosphate, 42 mg (0.046 mmol) of Pd2 (dba) 3 and 38 mg (0.092 mmol) of Sphos, And the mixture was heated to 80 ° C and reacted for about 8 hours. After the reaction, the reaction mixture was distilled off to remove the solvent, and then the crude product was purified by column chromatography to give a mixture of 265 mg of the compound represented by the formula (VII), and R is taken from 4-methylphenyl in a yield of 61%.

Reference： [1]Current Patent Assignee: SUN YAT-SEN UNIVERSITY (CHINA) - CN106995461, 2017, A Location in patent: Paragraph 0080; 0087-0089

5
[ 1192755-14-8 ]
[ 2122210-54-0 ]
[ 2122210-58-4 ]

Yield	Reaction Conditions	Operation in experiment
67%	With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ In toluene at 80℃; for 8h;	3.4 Preparation of [1- (7'-benzofuranyl) -2-naphthyl] bis (3,5-di-tert-butylphenyl) phosphine To the reaction flask was added 581 mg (0.92 mmol) of the compound represented by the formula (V)446 mg (2.74 mmol) of potassium phosphate, 42 mg (0.046 mmol) of Pd2 (dba) 3 and 38 mg (0.092 mmol) of Sphos, And the mixture was heated to 80 ° C and reacted for about 8 hours. After the reaction, the reaction mixture was distilled off to remove the solvent, and then the crude product was purified by column chromatography to give a mixture of 413 mg of the compound of the formula (VII), and R is taken from 3,5-di-tert-butylphenyl in a yield of 67%.

Reference： [1]Current Patent Assignee: SUN YAT-SEN UNIVERSITY (CHINA) - CN106995461, 2017, A Location in patent: Paragraph 0093; 0100-0101

6
[ 1192755-14-8 ]
[ 2122210-60-8 ]
[ 2123524-27-4 ]

Yield	Reaction Conditions	Operation in experiment
65%	With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ In toluene at 80℃; for 8h;	4.4 Preparation of [1- (7'-benzofuranyl) -2-naphthyl] bis (3,5-di-tert-butyl-4-Methoxyphenyl) phosphine oxide To the reaction flask was added 637 mg (0.92 mmol) of the compound represented by the formula (V)449 mg (1.84 mmol) of benzofuran-7-boronic acid pinacol ester,(0.46 mmol) of potassium phosphate, 42 mg (0.046 mmol) of Pd2 (dba) 3 and 38 mg (0.092 mmol) of Sphos were added and a mixed solvent prepared from 7 mL of toluene and 0.7 mL of water was added and the mixture was heated to 80C under nitrogen After the reaction was completed, the reaction mixture was distilled off to remove the solvent and then the crude product was purified by column chromatography to give 436 mg of the compound of the formula (VII), R was taken from 3,5-di-tert-butyl-4- Oxyphenyl, the yield was 65%.

Reference： [1]Current Patent Assignee: SUN YAT-SEN UNIVERSITY (CHINA) - CN106995461, 2017, A Location in patent: Paragraph 0106; 0113-0114

7
[ 41731-83-3 ]
[ 1192755-14-8 ]
[ 2417777-46-7 ]

Yield	Reaction Conditions	Operation in experiment
37%	With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate In 1,4-dioxane; water at 90℃; for 4h;	A. Ethyl 2-(benzofuran-7-yl)thiazole-5-carboxylate Ethyl 2-bromothiazole-5-carboxylate (1 .010 g, 4.28 mmol) and 2-(benzofuran-7-yl)- 4,4,5,5-tetramethyM ,3,2-dioxaborolane (1 .105 g, 4.53 mmol) were dissolved in 1 ,4- dioxane (8 mL) and water (4 mL). Potassium carbonate (2M aqueous solution, 4.25 mL, 8.50 mmol) was added, followed by bis(triphenylphosphine)palladium(ll) chloride (0.300 g, 0.427 mmol). The mixture was heated to 90 °C for 4 hours and was cooled to room temperature. Water (75 mL) and brine (25 mL) were added and the mixture was extracted with diethyl ether (4 x 20 mL). The combined organics were dried over magnesium sulfate and concentrated. The residue was purifed by silica gel chromatography, eluting with ethyl acetate:heptane (1 :19 to 1 :6) to provide ett izofuran-7-yl)thiazole-5-carboxylate (0.4297 g, 1 .572 mmol, 37 % yield) as a pale yellow solid. NMR (CDCI3): d 1 .43 (t, J = 7 Hz, 3 H), 4.42 (q, J = 7 Hz, 2 H), 6.90 (d, J = 2 Hz, 1 H), 7.38 (t, J = 8 Hz, I H), 7.74 (d, J = 7 Hz, 1 H), 7.82 (d, J = 2 Hz, 1 H), 8.23 (d, J = 8 Hz, 1 H), 8.53 (s, 1 H).

Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2020/95215, 2020, A1 Location in patent: Page/Page column 51-52

8
[ 1192755-14-8 ]
[ 2417776-59-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: potassium carbonate; bis-triphenylphosphine-palladium(II) chloride / 1,4-dioxane; water / 4 h / 90 °C 2: lithium hydroxide monohydrate / water; tetrahydrofuran; methanol / 1 h / 20 °C 3: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 2 h / 20 °C

Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2020/95215, 2020, A1

9
[ 1192755-14-8 ]
[ 2417777-47-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: potassium carbonate; bis-triphenylphosphine-palladium(II) chloride / 1,4-dioxane; water / 4 h / 90 °C 2: lithium hydroxide monohydrate / water; tetrahydrofuran; methanol / 1 h / 20 °C

Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2020/95215, 2020, A1

10
[ 1192755-14-8 ]
[ 2252403-84-0 ]
[ 2614262-62-1 ]

Yield	Reaction Conditions	Operation in experiment
110 mg	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate In water; acetonitrile at 80℃; Inert atmosphere;	50.50b Step 50b: Preparation of (S)-4-(7-(benzofuran-7-yl)-6-fluoro-1-(2-isopropyl-4-methylpyridin-3-yl)-2 -oxo-1,2-dihydropyrido[2,3-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylic acid tert-butyl ester (Compound 0904-107) Under the protection of nitrogen, the 7-pinacol borate benzofuran (compound 0903-107) (0.4 g, crude product), (S)-4-(7-chloro-6-fluoro-1-(2- Isopropyl-4-methylpyridin-3-yl)-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-4-yl)-3-methylpiperazine-1- Tert-Butyl formate (0112-1) (100 mg, 0.19 mmol, 1.0 equivalent), tetrakistriphenyl phosphine (21.8 mg, 0.019 mmol, 0.1 equivalent) and sodium carbonate (40.0 mg, 0.38 mmol, 2.0 equivalent) ) Was added to a mixed solvent of 10 ml of acetonitrile and 1 ml of water, and the mixture was stirred at 80C overnight. The reaction solution was cooled to room temperature, extracted with ethyl acetate and water, the organic phase was washed with saturated brine, and concentrated under reduced pressure. The residue was purified with a silica gel column (dichloromethane/methanol=100/1 to 40/1) to obtain a yellow liquid (S) -4-(7-(benzofuran-7-yl)-6-fluoro-1-(2-isopropyl-4-methylpyridin-3-yl)-2-oxo-1,2 -Dihydropyrido[2,3-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylic acid tert-butyl ester (110 mg,Yield: 77.4%)

Reference： [1]Current Patent Assignee: BEBETTER MED; GUANGZHOU BEBETTER MEDICINE TECH - CN112159405, 2021, A Location in patent: Paragraph 0417; 0419

11
[ 1192755-14-8 ]
[ 2252403-84-0 ]
[ 2614259-72-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate / water; acetonitrile / 80 °C / Inert atmosphere 2.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C 2.2: 0.5 h / Cooling with ice

Reference： [1]Current Patent Assignee: BEBETTER MED; GUANGZHOU BEBETTER MEDICINE TECH - CN112159405, 2021, A

12
[ 1195-66-0 ]
[ 133720-60-2 ]
[ 1192755-14-8 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: 7-bromobenzo(b)furan With n-butyllithium In tetrahydrofuran at -70℃; for 0.666667h; Inert atmosphere; Stage #2: 2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran at -70℃; for 1h;	50.50a Step 50a: Preparation of 7-pinacol borate benzofuran (compound 0903-107) Under the protection of nitrogen, at -70°C, to 7-bromo-benzofuran (Compound 0901-107) (300 mg, 1.53 mmol, 1.0 equivalent) in tetrahydrofuran (10 mL) was added dropwise n-butyl Lithium (1.6 mol, 1.24 ml, 1.99 mmol, 1.3 equivalents), the mixture was stirred at -70C for 40 minutes. Then methanol pinacol borate (387 mg, 2.45 mmol, 1.6 equivalents) in tetrahydrofuran (1.5 mL) was added dropwise at -70C, and the mixture was stirred for 1 hour. The reaction solution was quenched by adding ammonium chloride aqueous solution dropwise, the mixture was extracted with water and ethyl acetate, the organic phase was dried and concentrated under reduced pressure. The residue (0.4 g, crude product) was used directly in the next step without further purification.

Reference： [1]Current Patent Assignee: BEBETTER MED; GUANGZHOU BEBETTER MEDICINE TECH - CN112159405, 2021, A Location in patent: Paragraph 0417-0418

Yield	Reaction Conditions	Operation in experiment
100%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In diethylene glycol dimethyl ether at 80℃; Inert atmosphere; Sealed tube;	29.3 Step : 2-(Benzo[b]thiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborane (10'-1) General procedure: Combine 4-bromobenzo[b]thiophene (220mg), pinacol diborate (202mg), [1,1'-bis(diphenylphosphino)ferrocene]palladium dichloride (12mg), The mixture of ethylene glycol dimethyl ether (2mL) and potassium acetate (125mg) was placed in a sealed tube, under the protection of argon, stirred overnight at 80°C, the reaction solution was concentrated to dryness, and ethyl acetate: petroleum ether = 1: 7 Column chromatography, a yellow solid 2-(benzo[b]thiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborane (10'- 1) 156mg, yield 60%.

14
[ 1192755-14-8 ]
[ 2755824-62-3 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: tetrakis-(triphenylphosphine)-palladium; Cs₂CO₃ / water monomer; 1,4-dioxane / 2 h / 100 °C / Inert atmosphere 2: Cs₂CO₃; palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / toluene / 100 °C
	Multi-step reaction with 2 steps 1: palladium (II) [1,1'-bis(diphenylphosphanyl)ferrocene] dichloride; anhydrous sodium carbonate / water monomer; 1,4-dioxane / 6 h / 100 °C / Inert atmosphere 2: palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; Cs₂CO₃ / toluene / 100 °C / Inert atmosphere

Reference： [1]Huang, Jianhang; Wang, Xinren; Dong, Ruinan; Liu, Xiaoyue; Li, Hongmei; Zhang, Tianyi; Xu, Junyu; Liu, Chenhe; Zhang, Yanmin; Hou, Shaohua; Tang, Weifang; Lu, Tao; Chen, Yadong [Journal of Medicinal Chemistry, 2021, vol. 64, # 17, p. 12548 - 12571]
[2]Current Patent Assignee: CHINA PHARMACEUTICAL UNIVERSITY - CN113801108, 2021, A

15
[ 3993-78-0 ]
[ 1192755-14-8 ]
[ 2755825-22-8 ]

Yield	Reaction Conditions	Operation in experiment
93%	With tetrakis-(triphenylphosphine)-palladium; Cs₂CO₃ In 1,4-dioxane; water monomer at 100℃; for 2h; Inert atmosphere;
71%	With palladium (II) [1,1'-bis(diphenylphosphanyl)ferrocene] dichloride; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 100℃; for 6h; Inert atmosphere;	1.2 (2) Synthesis of 4-(benzofuran-7-yl)pyrimidin-2-amine (Compound 1-1) Compound 1a (293 mg, 1.20 mmol) was added to a 25 mL double-necked flask,2-Amino-4-chloropyrimidine (130 mg, 1.00 mmol),[1,1'-Bis(diphenylphosphino)ferrocene]dichloride palladium (73 mg, 0.1 mmol),Sodium carbonate (212mg, 2.00mmol), 12mL of 1,4-dioxane and 2mL of purified water,Degassed with nitrogen, heated at 100 °C for 6 h under nitrogen protection, the reaction solution was extracted with ethyl acetate, concentrated and purified by column chromatography (ethyl acetate: petroleum ether=1:1),After recrystallization and purification, 150 mg of light yellow powder was obtained, and the yield was 71%.

16
[ 24410-55-7 ]
[ 73183-34-3 ]
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran [ No CAS ]

Reference： [1]ACS Catalysis,2022,vol. 12,p. 2788 - 2795

17
[ 73183-34-3 ]
[ 133720-60-2 ]
[ 1192755-14-8 ]

Yield	Reaction Conditions	Operation in experiment
71%	With palladium (II) [1,1'-bis(diphenylphosphanyl)ferrocene] dichloride; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 100℃; for 12h; Inert atmosphere;	1.1 (1) Synthesis of benzofuran-7-boronic acid pinacol ester (compound 1a) 7-Bromobenzofuran (394mg, 2mmol) was added to a 25mL double-necked flask,bis(Pinacolato) diboron (762 mg, 3 mmol), [1,1'-bis(diphenylphosphino)ferrocene]dichloride palladium (146 mg, 0.2 mmol), sodium carbonate (424 mg, 4 mmol), 2 mL water and 12 mL of 1,4-dioxane were reacted at 100 °C for 12 h under nitrogen protection. After the reaction was completed, 50 mL of water and 100 mL of ethyl acetate were added, and the organic layer was collected. Colorless oil 346 mg, yield 71%

Reference： [1]Current Patent Assignee: CHINA PHARMACEUTICAL UNIVERSITY - CN113801108, 2021, A Location in patent: Paragraph 0108-0111

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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

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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. 1192755-14-8 ] {[proInfo.proName]}

Quality Control of [ 1192755-14-8 ]

Related Doc. of [ 1192755-14-8 ]

Product Details of [ 1192755-14-8 ]

Calculated chemistry of [ 1192755-14-8 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1192755-14-8 ]

Application In Synthesis of [ 1192755-14-8 ]

[ 1192755-14-8 ] Synthesis Path-Downstream 1~17

Related Functional Groups of [ 1192755-14-8 ]

Organoboron

Related Parent Nucleus of [ 1192755-14-8 ]

Benzofurans

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 1192755-14-8 ]

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[ 1192755-14-8 ]