3-bromo-5-methylbenzoic acid

3-bromo-5-methylbenzoic acid Suppliers list

Company Name:	Shanghai ACT chemical Limited Gold
Tel:	021-59904146 18001826933
Email:	sales@actchemical.com

Company Name:	Shijiazhuang Sdyano Fine Chemical Co., Ltd.
Tel:	0311-89250318 13582355795
Email:	master@sjzsdyn.com

Company Name:	Wuhan Chemwish Technology Co., Ltd
Tel:	86-027-67849912
Email:	sales@chemwish.com

3-bromo-5-methylbenzoic acid manufacturers

3-bromo-5-methylbenzoic acid Basic information

Product Name:	3-bromo-5-methylbenzoic acid
Synonyms:	3-bromo-5-methylbenzoic acid;5-broMo-3-Methylbenzoic acid;Benzoic acid, 3-bromo-5-methyl-
CAS:	58530-13-5
MF:	C8H7BrO2
MW:	215.04
EINECS:
Product Categories:
Mol File:	58530-13-5.mol

3-bromo-5-methylbenzoic acid Chemical Properties

Melting point	178-179.5℃
Boiling point	320.3±30.0 °C(Predicted)
density	1.599±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.	Sealed in dry,Room Temperature
form	solid
pka	3.88±0.10(Predicted)
color	Pale yellow
InChI	InChI=1S/C8H7BrO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4H,1H3,(H,10,11)
InChIKey	NWOMVQDBDBUANF-UHFFFAOYSA-N
SMILES	C(O)(=O)C1=CC(C)=CC(Br)=C1

Safety Information

HS Code

2916310090

MSDS Information

3-bromo-5-methylbenzoic acid Usage And Synthesis

Chemical Properties	Off-white powder
Uses	3-Bromo-5-methylbenzoic Acid is an intermediate used to synthesize quinoline amide derivatives as novel VEGFR-2 inhibitors
Synthesis	1-bromo-3,5-dimethylbenzene (15 g, 81 mmol, 1.0 eq) in a mixture of pyridine (133 mL) and H2O (83 mL) was heated to 80°C. KMnO4 (25.6 g, 162 mmol, 2.0 eq) was added in portions over 45 min. After the addition was completed, heating was continued at 80°C for 1.5 h. The hot solution was then filtered, and the filtrate was acidified by addition of concentrated hydrochloric acid. The aqueous solution was extracted with EtOAc and the combined organic extracts washed with water and brine, dried (Na2SO4), filtered and evaporated in vacuo. The residue was purified by column chromatography (CH2Cl2 : MeOH, 80:1 to 40:1) to give 3-bromo-5-methylbenzoic acid. White solid, yield (5.2 g, 29 %). LC-MS: m/z 212.9, 215 [M+H]+. 1H NMR (400 MHz, MeOD) δ 7.91 (s, 1H), 7.79 (s, 1H), 7.57 (s, 1H), 2.38 (s, 3H).
References	[1] Patent: US2009/203657, 2009, A1. Location in patent: Page/Page column 53 [2] Patent: US2009/203677, 2009, A1. Location in patent: Page/Page column 56 [3] Patent: US2009/197871, 2009, A1. Location in patent: Page/Page column 55-56 [4] Patent: WO2009/100169, 2009, A1. Location in patent: Page/Page column 136

3-bromo-5-methylbenzoic acid Preparation Products And Raw materials

Raw materials	7-Bromo-5-methyl-1H-indole-2,3-dione-->(3-broMo-5-Methylphenyl)Methanol-->2-Amino-3-bromo-5-methylbenzoic acid-->1-BroMo-3-broMoMethyl-5-Methyl-benzene-->3-Bromo-5-methylbenzonitrile-->2-Amino-5-methylbenzoic acid-->5-Bromo-m-xylene-->Potassium permanganate-->Water-->Nitric acid
Preparation Products	3-(aminomethyl)-5-bromobenzonitrile-->3-Bromo-5-cyanobenzyl bromide

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