1007455-21-1

Basic information

• Product Name: 2-BroMo-4-fluoro-5-Methoxybenzoic acid
• Synonyms: 2-BroMo-4-fluoro-5-Methoxybenzoic acid
• CAS NO: 1007455-21-1
• Molecular Formula: C₈H₆BrFO₃
• Molecular Weight: 249.0338432
• Mol File: 1007455-21-1.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 342.6±42.0 °C(Predicted)
• Appearance: /
• Density: 1.701±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 2.67±0.10(Predicted)
• CAS DataBase Reference: 2-BroMo-4-fluoro-5-Methoxybenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BroMo-4-fluoro-5-Methoxybenzoic acid(1007455-21-1)
• EPA Substance Registry System: 2-BroMo-4-fluoro-5-Methoxybenzoic acid(1007455-21-1)

Safety Data

• Hazardous Substances Data: 1007455-21-1(Hazardous Substances Data)

Usage

General Description

2-Bromo-4-fluoro-5-methoxybenzoic acid is a compound with the chemical formula C8H6BrFO3. It is a derivative of benzoic acid and is classified as a halo substituted benzoic acid. The compound contains a bromine atom, a fluorine atom, and a methoxy group attached to the benzene ring, giving it unique chemical and physical properties. 2-BroMo-4-fluoro-5-Methoxybenzoic acid is commonly used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals due to its high reactivity and versatile functional groups. It is important for its potential applications in drug development and chemical synthesis.

Upstream product

• 82846-18-2 4?fluoro-3-methoxybenzoic acid 
• 550400-11-8 1-bromo-5-fluoro-4-methoxy-2-methylbenzene 
• 550400-07-2 4-bromo-2-fluoro-5-methylphenol 
• 63762-79-8 2-fluoro-5-methylphenol 

Downstream Products

• 1007455-22-2 methyl 2-bromo-4-fluoro-5-methoxybenzoate 
• 1046495-05-9 C₉H₈BrFO₃ 
• 1007455-23-3 methyl 2-cyano-4-fluoro-5-methoxybenzoate 
• 1435479-63-2 4-fluoro-5-methoxy-2-(2H-1,2,3-triazol-2-yl)benzoic acid 
• 1007455-24-4 5-fluoro-6-methoxyisoindolin-1-one 

Relevant articles and documents

Oxadiazole Derivatives as Dual Orexin Receptor Antagonists: Synthesis, Structure–Activity Relationships, and Sleep-Promoting Properties in Rats

The orexin system plays an important role in the regulation of wakefulness. Suvorexant, a dual orexin receptor antagonist (DORA) is approved for the treatment of primary insomnia. Herein, we outline our optimization efforts toward a novel DORA. We started our investigation with rac-[3-(5-chloro-benzooxazol-2-ylamino)piperidin-1-yl]-(5-methyl-2-[1,2,3]triazol-2-ylphenyl)methanone (3), a structural hybrid of suvorexant and a piperidine-containing DORA. During the optimization, we resolved liabilities such as chemical instability, CYP3A4 inhibition, and low brain penetration potential. Furthermore, structural modification of the piperidine scaffold was essential to improve potency at the orexin 2 receptor. This work led to the identification of (5-methoxy-4-methyl-2-[1,2,3]triazol-2-ylphenyl)-{(S)-2-[5-(2-trifluoromethoxyphenyl)-[1,2,4]oxadiazol-3-yl]pyrrolidin-1-yl}methanone (51), a potent, brain-penetrating DORA with in vivo efficacy similar to that of suvorexant in rats.

2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS

The present invention relates to 2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-yl)picolinamide derivatives of formula (I) wherein Ar1, Q, and R1 to R5 are as described in the description, to their preparation, to

AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS

The present invention relates to azetidine amide derivatives derivatives of formula (I) wherein rings A1 A2 and A3 are as described in the description, to pharmaceutically acceptable salts thereof, to their preparation, to