668262-52-0

Basic information

• Product Name: METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE
• Synonyms: METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE;2-BROMOMETHYL-5-CHLORO-BENZOIC ACID METHYL ESTER;Benzoic acid, 2-(bromomethyl)-5-chloro-, methyl ester;2-carboxy-4-chloro-broMoMethylbenzene Methyl ester;-5-chlorobenzoate
• CAS NO: 668262-52-0
• Molecular Formula: C₉H₈BrClO₂
• Molecular Weight: 263.52
• Mol File: 668262-52-0.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 331 °C at 760 mmHg
• Flash Point: 154 °C
• Appearance: /
• Density: 1.561 g/cm³
• Vapor Pressure: 0.00016mmHg at 25°C
• Refractive Index: 1.572
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE(668262-52-0)
• EPA Substance Registry System: METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE(668262-52-0)

Safety Data

• Hazardous Substances Data: 668262-52-0(Hazardous Substances Data)

Usage

General Description

Methyl 2-bromomethyl-5-chloro-benzoate is a synthetic chemical compound that combines elements of bromine, chlorine, methyl, and benzoate. As an organic compound, it is mainly used in the scientific and industrial fields. There is limited publicly available information regarding its specific uses, but similar compounds are typically used in the production of a variety of products such as pharmaceuticals, plastics, and other organic compounds. Being a halogenated substance, this chemical is potentially reactive and precautionary measures are needed when handling it. However, detailed hazard identification and toxicological data on this specific compound is not widely available.

InChI:InChI=1/C9H8BrClO2/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-4H,5H2,1H3

Upstream product

• 7499-06-1 5-chloro-2-methylbenzoic acid 
• 118-90-1 ortho-methylbenzoic acid 
• 99585-13-4 methyl 2-methyl-5-chlorobenzoate 

Downstream Products

• 668262-53-1 methyl 2-{[bromo(triphenyl)phosphoranyl]methyl}-5-chlorobenzoate 
• 868636-40-2 5-chloro-2-[(cyclopentyloxy)methyl]benzoic acid 
• 1022984-31-1 6-chloro-2-(4-dimethylaminophenyl)-2,3-dihydroisoindol-1-one 
• 868636-63-9 methyl 5-chloro-2-{[(5-chloropyridin-2-yl)(methyl)amino]methyl}benzoate 
• 868636-32-2 methyl 5-chloro-2-{[(5-fluoropyridin-3-yl)oxy]methyl}benzoate 
• 868635-74-9 5-chloro-2-[(2-chlorophenoxy)methyl]benzoic acid 
• 868635-73-8 methyl 5-chloro-2-[(2-chlorophenoxy)methyl]benzoate 
• 76254-23-4 5-Chloro-2-cyanomethyl-benzoic acid methyl ester 
• 868635-81-8 methyl 5-chloro-2-((4-chlorophenoxy)methyl)benzoate 
• 1203589-45-0 methyl 5-chloro-2-formylbenzoate 

Relevant articles and documents

COMPOUNDS

This disclosure relates to compounds of formula (I), which are modulators of STING. Also disclosed are pharmaceutical compositions comprising compounds of formula (I) and methods of using compounds of formula (I) in the treatment or prevention of diseases

C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME

Disclosed herein are embodiments of a compound that inhibits c-Abl tyrosine kinase (also referred to herein as "c-Abl"). The compound embodiments described herein are novel c-Abl inhibitors that can bind to c-Abl at an allosteric site and inhibit its activity in various pathways. The compound embodiments also are capable of crossing the blood brain barrier and therefore are useful in inhibiting c-Abl activity as it affects pathways and/or proteins in the brain. The compound embodiments described herein are effective therapeutic agents for treating diseases involving c-Abl, such as cancers, motor neuron diseases, and neurodegenerative diseases. Also disclosed herein are embodiments of methods for making and using the c- Abl inhibitory compound embodiments.

Rapid generation of novel benzoic acid–based xanthine derivatives as highly potent, selective and long acting DPP-4 inhibitors: Scaffold-hopping and prodrug study

A series of novel xanthine derivatives 2a-l incorporating benzoic acid moieties were rapidly generated by using strategy of scaffold-hopping from our previously reported scaffold uracil to xanthine, a scaffold of approved drug linagliptin. After systematic structure-activity relationship (SAR) study around benzoic acid moieties, 5 novel DPP-4 inhibitors with low picomolar potency range (IC50 50 value of 0.1 nM for DPP-4, showed 22-fold improvement in inhibitory activity compared to lead compound uracil 1, its activity was 45-fold more potent than alogliptin. 2e, 2f, 2i and 2k were selected for pharmacokinetic evaluation, and 2f and 2i showed the better pharmacokinetic profiles after iv administration, but poor oral bioavailability. To improve the oral pharmacokinetic profile, prodrug design approach was performed around 2f and 2i. Esters of 2f and 2i were synthesized and evaluated for stability, toxicity and pharmacokinetics. Compound 3e, the methyl ester of compound 2f, was identified to demonstrate good stability, low toxicity and improved oral bioavailability, with 3-fold higher blood concentration compared to 2f in rats. The following in vivo evaluations revealed 3e provided a sustained pharmacodynamics effect for 48h, and robustly improved glucose tolerance in normal ICR and db/db mice in dose-dependent manner. Chronic treatments investigations demonstrated that 3e achieved more beneficial effects on fasting blood glucose levels and glucose tolerance than alogliptin in type 2 diabetic db/db mice. The overall results have shown that compound 3e has the potential to efficacious, safety and long-acting treatment for T2DM.