20896-23-5

Basic information

• Product Name: METHYL 3,4-BIS(BROMOMETHYL)BENZOATE
• Synonyms: METHYL 3,4-BIS(BROMOMETHYL)BENZOATE;SALOR-INT L158194-1EA;methyl 3,4-di(bromomethyl)benzoate;ethyl 3,4-bis(bromomethyl)benzoate;Methyl3,4-bis(bromomethyl)benzoate97%;Methyl 3,4-bis(bromomethyl);BUTTPARK 33\04-36
• CAS NO: 20896-23-5
• Molecular Formula: C₁₀H₁₀Br₂O₂
• Molecular Weight: 321.99
• Mol File: 20896-23-5.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 369.5°C at 760 mmHg
• Flash Point: 177.3°C
• Appearance: /
• Density: 1.728g/cm³
• Vapor Pressure: 1.18E-05mmHg at 25°C
• Refractive Index: 1.595
• CAS DataBase Reference: METHYL 3,4-BIS(BROMOMETHYL)BENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 3,4-BIS(BROMOMETHYL)BENZOATE(20896-23-5)
• EPA Substance Registry System: METHYL 3,4-BIS(BROMOMETHYL)BENZOATE(20896-23-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 20896-23-5(Hazardous Substances Data)

Usage

Uses

Methyl 3,4-bis(bromomethyl)benzoate is a reagent used in the preparation of sulfones through oxidation of 1,3-dihydrobenzo[c]thiophenes. Also is used in the synthesis of potent histone deacetylase inhibitors.

InChI:InChI=1/C10H10Br2O2/c1-14-10(13)7-2-3-8(5-11)9(4-7)6-12/h2-4H,5-6H2,1H3

Upstream product

• 619-04-5 3,4-dimethylbenzoic acid 
• 56-23-5 tetrachloromethane 
• 38404-42-1 methyl 3,4-dimethylbenzoate 

Downstream Products

• 166827-95-8 methyl (6,7)-[6,6]-C₆₀-fullerene-(5,8)-dihydronapthyl-2-formic acid ester 
• 1375470-83-9 methyl (2R)-4'-chloro-6'-oxo-1,3,6',7'-tetra-hydrospiro[indene-2,5'-pyrrolo[2,3-d]pyrimidine]-5-carboxylate 
• 1383733-40-1 (2R)-N-[(5R,6S,8S)-3-(2-hydroxypopan-2-yl)-5-methyl-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-6'-oxo-1,3',6',7'-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-d]pyrimidine]-5-carboxamide 
• 1375471-29-6 (2S)-4'-chloro-6'-oxo-1,3,6',7'-tetrahydrospiro[indene-2,5'-pyrrolo[2,3-d]pyrimidine]-5-carboxylate 
• 1300042-07-2 C₃₃H₃₆N₂O₆ 
• 1300196-47-7 C₃₄H₃₈N₂O₆ 
• 1300042-15-2 C₃₄H₃₈N₂O₆ 
• 1251999-61-7 2-(4-methoxybenzyl)-2,3-dihydro-1H-isoindole-5-carboxylic acid methyl ester 
• 912999-86-1 2-(2,4-dimethoxybenzyl)-2,3-dihydro-1H-isoindole-5-carboxylic acid methyl ester 
• 910050-08-7 2-((R)-1-benzyl-pyrrolidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxylic acid methyl ester 
• 20896-24-6 3,4-Bis(bromomethyl)benzoic acid 
• 127399-11-5 (2-(4-nitrophenyl)isoindoline-5-carbaldheyde) 
• 127168-98-3 5-hydroxymethyl-2,3-dihydro-1H-isoindole 
• 854092-28-7 5-{[methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-carbamoyl]-methyl}-1,3-dihydro-isoindole-2-carboxylic acid tert-butyl ester 

Relevant articles and documents

2-(4,5-DIHYDROISOXAZOL-3-YL)ISOINDOLINE-5-CARBOXAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS PESTICIDES FOR CROP PROTECTION

The present invention discloses an isoxazoline compound of formula (I), Formula (I) wherein, R1, R3, Cy, A, D, p and q are as defined in the detailed description. The present invention further discloses methods for preparation of com

Potent histone deacetylase inhibitors derived from 4-(aminomethyl)-N- hydroxybenzamide with high selectivity for the HDAC6 isoform

A screen for HDAC6 inhibitors identified acyl derivatives of 4-(aminomethyl)-N-hydroxybenzamide as potent leads with unexpected selectivity over the other subtypes. We designed and synthesized constrained heterocyclic analogues such as tetrahydroisoquinolines that show further enhanced HDAC6 selectivity and inhibitory activity in cellular assays. Selectivity may be attributed to the benzylic spacer more effectively accessing the wider channel of HDAC6 compared to other HDAC subtypes as well as hydrophobic capping groups interacting with the protein surface near the rim of the active site.

Discovery of (2,4-Dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1- ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design

Inhibitors of the molecular chaperone heat shock protein 90 (Hsp90) are currently generating significant interest in clinical development as potential treatments for cancer. In a preceding publication (DOI: 10.1021/jm100059d) we describe Astex's approach to screening fragments against Hsp90 and the subsequent optimization of two hits into leads with inhibitory activities in the low nanomolar range. This paper describes the structure guided optimization of the 2,4-dihydroxybenzamide lead molecule 1 and details some of the drug discovery strategies employed in the identification of AT13387 (35), which has progressed through preclinical development and is currently being tested in man.