1805523-44-7

Basic information

• Product Name: Methyl 2-bromo-3,6-difluorobenzoate
• Synonyms: Methyl 2-bromo-3,6-difluorobenzoate
• CAS NO: 1805523-44-7
• Molecular Formula: C8H5BrF2O2
• Molecular Weight: 251.03
• EINECS: -0
• Mol File: 1805523-44-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 258.3±40.0 °C(Predicted)
• Appearance: /
• Density: 1.652±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: Methyl 2-bromo-3,6-difluorobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 2-bromo-3,6-difluorobenzoate(1805523-44-7)
• EPA Substance Registry System: Methyl 2-bromo-3,6-difluorobenzoate(1805523-44-7)

Safety Data

• Hazardous Substances Data: 1805523-44-7(Hazardous Substances Data)

Usage

General Description

Methyl 2-bromo-3,6-difluorobenzoate is a chemical compound with the molecular formula C8H5BrF2O2. It is a fluoroaromatic compound and belongs to the esters chemical class. This chemical is commonly used as an intermediate in organic synthesis, particularly in the pharmaceutical and agrochemical industries. It is known for its high reactivity and ability to undergo various chemical reactions, making it an important building block in the production of more complex organic compounds. Additionally, its unique structure and properties make it a valuable compound for research and development in the field of organic chemistry.

Upstream product

• 124244-65-1 2-bromo-3,6-difluorobenzoic acid 
• 77-78-1 dimethyl sulfate 

Relevant articles and documents

Discovery of Potent, orally bioavailable phthalazinone bradykinin B1 receptor antagonists

The bradykinin B1 receptor is rapidly induced upon tissue injury and inflammation, stimulating the production of inflammatory mediators resulting in plasma extravasation, leukocyte trafficking, edema, and pain. We have previously reported on sulfonamide and sulfone-based B1 antagonists containing a privileged bicyclic amine moiety leading to potent series of 2-oxopiperazines. The suboptimal pharmacokinetics and physicochemical properties of the oxopiperazine sulfonamides led us to seek B1 antagonists with improved druglike properties. Using a pharmacophore model containing a bicyclic amine as anchor, we designed a series of amide antagonists with targeted physicochemical properties. This approach led to a novel series of potent phthalazinone B1 antagonists, where we successfully replaced a sulfonamide acceptor with a cyclic carbonyl unit. SAR studies revealed compounds with subnanomolar B1 binding affinity. These compounds demonstrate excellent cross-species PK properties with high oral bioavailability and potent activity in a rabbit biochemical challenge pharmacodynamic study.