58530-13-5

Basic information

• Product Name: 3-bromo-5-methylbenzoic acid
• Synonyms: 3-bromo-5-methylbenzoic acid;5-broMo-3-Methylbenzoic acid
• CAS NO: 58530-13-5
• Molecular Formula: C₈H₇BrO₂
• Molecular Weight: 215.05
• Mol File: 58530-13-5.mol
• Article Data: 7

Chemical Properties

• Melting Point: 178-179.5℃
• Boiling Point: 320.3°C at 760 mmHg
• Flash Point: 147.5°C
• Appearance: /
• Density: 1.599±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0.000133mmHg at 25°C
• Refractive Index: 1.595
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.88±0.10(Predicted)
• CAS DataBase Reference: 3-bromo-5-methylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-bromo-5-methylbenzoic acid(58530-13-5)
• EPA Substance Registry System: 3-bromo-5-methylbenzoic acid(58530-13-5)

Safety Data

• Hazardous Substances Data: 58530-13-5(Hazardous Substances Data)

Usage

Description

3-bromo-5-methylbenzoic acid is an organic compound characterized by its off-white powder form. It is a derivative of benzoic acid with a bromine atom at the 3rd position and a methyl group at the 5th position on the benzene ring. 3-bromo-5-methylbenzoic acid serves as a crucial intermediate in the synthesis of various chemical compounds, particularly in the pharmaceutical industry.

Uses

Used in Pharmaceutical Industry:
3-bromo-5-methylbenzoic acid is used as an intermediate for the synthesis of quinoline amide derivatives, which are novel VEGFR-2 inhibitors. These inhibitors play a significant role in the development of anti-cancer drugs, as they target the vascular endothelial growth factor receptor-2 (VEGFR-2), a protein that is often overexpressed in various types of cancer cells. By inhibiting VEGFR-2, these derivatives can help in disrupting the blood supply to the tumor, thereby inhibiting tumor growth and progression.
Used in Chemical Synthesis:
3-bromo-5-methylbenzoic acid is also utilized as a building block in the synthesis of other organic compounds, such as dyes, pigments, and pharmaceuticals. Its unique chemical structure allows for further functionalization and modification, making it a versatile compound in the field of organic chemistry.

InChI:InChI=1/C8H7BrO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4H,1H3,(H,10,11)

Upstream product

• 13091-43-5 2-amino-3-bromo-5-methylbenzoic acid 
• 556-96-7 5-bromo-1,3-xylene 
• 7697-37-2 nitric acid 
• 124807-88-1 2-bromo-4-methyl-α-isonitrosoacetanilide 
• 2941-78-8 2-Amino-5-methylbenzoic acid 
• 648439-19-4 (3-bromo-5-methylphenyl)methanol 
• 51719-69-8 1-bromo-3-(bromomethyl)-5-methylbenzene 

Downstream Products

• 124289-21-0 3-bromo-5-methylbenzonitrile 
• 478375-40-5 methyl 3-bromo-5-methylbenzoate 
• 18595-15-8 methyl 3-amino-5-methylbenzoate 
• 1007578-82-6 3-bromo-5-methylbenzamide 
• 1257883-79-6 3-bromo-5-methyl-N-(quinolin-3-yl)benzamide 
• 1214383-07-9 3-methyl-5-(pyridin-4-yl)benzoic acid 
• 124289-24-3 α-Bromo-3-bromo-5-cyanotoluene 
• 1177558-49-4 3-bromo-5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzonitrile 
• 1177558-50-7 3-(aminomethyl)-5-bromobenzonitrile 
• 1177558-71-2 tert-butyl (3-bromo-5-cyanobenzyl)carbamate 
• 1427407-86-0 N-(6-fluoro-3-hydroxy-2-methylphenyl)-3-(3-fluorophenyl)-5-methylbenzamide 
• 1427407-87-1 4-fluoro-3-[[3-(3-fluorophenyl)-5-methyl-phenyl]methylamino]-2-methylphenol 
• 1427407-88-2 C₂₆H₂₇F₂NO₃ 
• 1427406-32-3 C₂₃H₂₁F₂NO₃ 

Relevant articles and documents

ANILINE DERIVATIVES,THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION

The present invention relates to aniline derivatives, to their preparation and to their therapeutic application.

Dual Pharmacophores - PDE4-Muscarinic Antagonistics

The present invention is directed to novel compounds of Formula (I) and pharmaceutically acceptable salts thereof, pharmaceutical compositions and their use as dual chromaphores having inhibitory activity against PDE4 and muscarinic acetylcholine receptors (mAChRs), and thus being useful for treating respiratory diseases.

Dual Pharmacophores - PDE4-Muscarinic Antagonistics

The present invention is directed to novel compounds of Formula (I), pharmaceutical compositions and their use in therapy, for example as inhibitors of phosphodiesterase type IV (PDE4) and as antagonists of muscarinic acetylcholine receptors (mAChRs), in the treatment of/and or prophylaxis of respiratory diseases, including antiinflammatory and/or allergic diseases such as chronic obstructive pulmonary disease (COPD), asthma, rhinitis (e.g. allergic rhinitis), atopic dermatitis or psoriasis.