1064678-14-3

Basic information

• Product Name: Methyl 4-bromo-2-chloronicotinate
• Synonyms: Methyl 4-bromo-2-chloronicotinate;Methyl 4-bromo-2-chloropyridine-3-carboxylate
• CAS NO: 1064678-14-3
• Molecular Formula: C₇H₅BrClNO₂
• Molecular Weight: 250.4771
• Mol File: 1064678-14-3.mol
• Article Data: 2

Chemical Properties

• Melting Point: 54-58°C
• Boiling Point: 287.4±35.0 °C(Predicted)
• Flash Point: >110℃
• Appearance: /
• Density: 1.684±0.06 g/cm3(Predicted)
• PKA: -1.29±0.10(Predicted)
• CAS DataBase Reference: Methyl 4-bromo-2-chloronicotinate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 4-bromo-2-chloronicotinate(1064678-14-3)
• EPA Substance Registry System: Methyl 4-bromo-2-chloronicotinate(1064678-14-3)

Safety Data

• Hazard Codes: N
• Statements: 50
• Safety Statements: 60-61
• RIDADR: UN 3077 9 / PGIII
• WGK Germany: 3
• Hazardous Substances Data: 1064678-14-3(Hazardous Substances Data)

Usage

General Description

Methyl 4-bromo-2-chloronicotinate is a chemical compound with the molecular formula C7H5BrClNO2. It is a derivative of nicotinic acid and is commonly used in organic synthesis as a building block for pharmaceuticals and agrochemicals. methyl 4-bromo-2-chloronicotinate is known for its potential as an intermediate in the synthesis of various biologically active compounds. It has been studied for its potential applications in the pharmaceutical industry, particularly in the development of new drugs. Methyl 4-bromo-2-chloronicotinate is a valuable chemical for research and development in the field of medicinal chemistry and organic synthesis.

Upstream product

• 73583-37-6 2-chloro-4-bromopyridine 
• 79-22-1 methyl chloroformate 

Downstream Products

• 217811-63-7 methyl 2-chloro-4-methylnicotinate 
• 196708-48-2 methyl 2-chloro-4-(trifluoromethyl)nicotinate 
• 447402-10-0 (2-chloro-4-methyl-pyridin-3-yl)-methanol 

Relevant articles and documents

Novel small molecule bradykinin B2 receptor antagonists

Blockade of the bradykinin B2 receptor provides therapeutic benefit in hereditary angioedema (HAE) and potentially in many other diseases. Herein, we describe the development of highly potent B2 receptor antagonists with a molecular weight of approximately 500 g/mol. First, known quinoline-based B2 receptor antagonists were stripped down to their shared core motif 53, which turned out to be the minimum pharmacophore. Targeted modifications of 53 resulted in the highly water-soluble lead compound 8a. Extensive exploration of its structure-activity relationship resulted in a series of highly potent B2 receptor antagonists, featuring a hydrogen bond accepting functionality, which presumably interacts with the side chain of Asn-107 of the B2 receptor. Optimization of the microsomal stability and cytochrome P450 inhibition eventually led to the discovery of the highly potent and orally available B2 receptor antagonist 52e (JSM10292), which showed the best overall properties.