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

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

Uses

Used in Pharmaceutical Industry:
Methyl 2-bromo-3,6-difluorobenzoate is used as an intermediate in organic synthesis for the development of pharmaceutical compounds. Its unique structure and reactivity contribute to the creation of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical industry, Methyl 2-bromo-3,6-difluorobenzoate serves as an intermediate in the synthesis of agrochemicals, such as pesticides and herbicides. Its properties allow for the development of effective and targeted chemical solutions for agricultural use.
Used in Organic Chemistry Research and Development:
Methyl 2-bromo-3,6-difluorobenzoate is utilized as a valuable compound in the field of organic chemistry research and development. Its unique structure and properties provide opportunities for exploring new chemical reactions and synthesizing novel organic compounds with potential applications in various industries.

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.