334792-52-8

Basic information

• Product Name: METHYL 3-BROMO-5-FLUOROBENZOATE
• Synonyms: METHYL 3-BROMO-5-FLUOROBENZOATE;3-bromo-5-fluorobenzoate
• CAS NO: 334792-52-8
• Molecular Formula: C₈H₆BrFO₂
• Molecular Weight: 233.03
• Product Categories: Acids & Esters;Bromine Compounds;Fluorine Compounds
• Mol File: 334792-52-8.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 251.6±25.0℃ (760 Torr)
• Flash Point: 106.0±23.2℃
• Appearance: /
• Density: 1.577±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0.02mmHg at 25°C
• Refractive Index: 1.5345
• Storage Temp.: Room temperature.
• CAS DataBase Reference: METHYL 3-BROMO-5-FLUOROBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 3-BROMO-5-FLUOROBENZOATE(334792-52-8)
• EPA Substance Registry System: METHYL 3-BROMO-5-FLUOROBENZOATE(334792-52-8)

Safety Data

• Hazard Codes: T
• Statements: 25-36
• Safety Statements: 26-45
• RIDADR: UN2810
• Hazardous Substances Data: 334792-52-8(Hazardous Substances Data)

Usage

General Description

Methyl 3-bromo-5-fluorobenzoate is a chemical compound with the molecular formula C8H6BrFO2. It is a white to light yellow crystalline powder with a molecular weight of 229.03 g/mol. METHYL 3-BROMO-5-FLUOROBENZOATE is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It is also used as a building block in organic synthesis to create a variety of other chemical compounds. Methyl 3-bromo-5-fluorobenzoate is considered to be a hazardous substance and proper safety precautions should be taken when handling and storing it.

InChI:InChI=1/C8H6BrFO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3

Upstream product

• 176548-70-2 3-bromo-5-fluorobenzoic acid 
• 144-55-8 sodium hydrogencarbonate 
• 179898-34-1 3-bromo-5-fluorobenzonitrile 
• 1435-51-4 1,3-dibromo-5-fluorobenzene 
• 67-56-1 methanol 
• 887266-90-2 3-bromo-5-fluoro-benzoyl chloride 

Downstream Products

• 886732-29-2 methyl 3-cyano-5-fluorobenzoate 
• 1403612-33-8 methyl 3-cyano-5-fluoro-4-iodobenzoate 
• 1403612-35-0 N'-[(3-cyano-5-fluoro-4-iodobenzoyl)oxy]-5-fluoropyridine-2-carboximidamide 
• 1403612-36-1 3-fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2-iodobenzonitrile 
• 1403612-34-9 3-cyano-5-fluoro-4-iodobenzoic acid 

Relevant articles and documents

METHODS AND COMPOSITION OF 4-SUBSTITUTED BENZOYLPIPERAZINE-1-SUBSTITUTED CARBONYLS AS BETA-CATENIN/B-CELL LYMPHOMA 9 INHIBITORS

In one aspect, the invention relates to 4-substituted benzoylpiperazine-1-substituted carbonyls, derivatives thereof, and related compounds; synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating disorders, e.g., various tumors and cancers, associated with β-catenin/BCL9 protein-protein interaction dysfunction using the compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

Structure-Based Design of 1,4-Dibenzoylpiperazines as β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction Inhibitors

A small-molecule inhibitor with a 1,4-dibenzoylpiperazine scaffold was designed to match the critical binding elements in the β-catenin/B-cell lymphoma 9 (BCL9) protein-protein interaction interface. Inhibitor optimization led to a potent inhibitor that can disrupt the β-catenin/BCL9 interaction and exhibit 98-fold selectivity over the β-catenin/cadherin interaction. The binding mode of new inhibitors was characterized by structure-activity relationships and site-directed mutagenesis studies. Cell-based studies demonstrated that this series of inhibitors can selectively suppress canonical Wnt signaling and inhibit growth of Wnt/β-catenin-dependent cancer cells.

Discovery and characterization of AZD9272 and AZD6538 - Two novel mGluR5 negative allosteric modulators selected for clinical development

AZD9272 and AZD6538 are two novel mGluR5 negative allosteric modulators selected for further clinical development. An initial high-throughput screening revealed leads with promising profiles, which were further optimized by minor, yet indispensable, structural modifications to bring forth these drug candidates. Advantageously, both compounds may be synthesized in as little as one step. Both are highly potent and selective for the human as well as the rat mGluR5 where they interact at the same binding site than MPEP. They are orally available, allow for long interval administration due to a high metabolic stability and long half-lives in rats and permeate the blood brain barrier to a high extent. AZD9272 has progressed into phase I clinical studies.