59786-31-1

Basic information

• Product Name: 3-BROMOISONICOTINIC ACID METHYL ESTER
• Synonyms: 3-BROMOISONICOTINIC ACID METHYL ESTER;3-BROMOPYRIDINE-4-CARBOXYLIC ACID METHYL ESTER;Methyl 3-bromo-4-pyridinecarboxylate;Methyl 3-bromoisonicotinate;Methyl 3-bromopyridine-4-carboxylate;3-broMopyridin-4-carboxylic acid Methyl ester;Methyl-3-broMoisonicotiMate;3-broMopyridine-4-carboxylate
• CAS NO: 59786-31-1
• Molecular Formula: C₇H₆BrNO₂
• Molecular Weight: 216.03
• Product Categories: blocks;Bromides;Carboxes;Pyridines;Building Blocks;Pyridine
• Mol File: 59786-31-1.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 247℃
• Flash Point: 103℃
• Appearance: /
• Density: 1.579
• Vapor Pressure: 0.0267mmHg at 25°C
• Refractive Index: 1.553
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 0.76±0.18(Predicted)
• CAS DataBase Reference: 3-BROMOISONICOTINIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMOISONICOTINIC ACID METHYL ESTER(59786-31-1)
• EPA Substance Registry System: 3-BROMOISONICOTINIC ACID METHYL ESTER(59786-31-1)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 59786-31-1(Hazardous Substances Data)

Usage

General Description

3-Bromoisonicotinic acid methyl ester is a chemical compound with the molecular formula C7H6BrNO2. It is a derivative of isonicotinic acid and is commonly used as a building block in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. 3-BROMOISONICOTINIC ACID METHYL ESTER is known for its potential use as an anti-inflammatory and anti-cancer agent, and it has also shown activity against certain bacterial and fungal strains. Its methyl ester form makes it a versatile reagent for various chemical reactions, and its bromine substituent confers unique properties that are useful for creating new compounds with specific biological activities. Overall, 3-Bromoisonicotinic acid methyl ester is a valuable compound in the field of medicinal and agricultural chemistry.

InChI:InChI=1/C7H6BrNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3

Upstream product

• 13959-02-9 3-bromoisonicotinic acid 
• 626-55-1 3-Bromopyridine 
• 67-56-1 methanol 
• 124-38-9 carbon dioxide 
• 186581-53-3 diazomethane 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 74-88-4 methyl iodide 
• 71541-34-9 3-bromo-N-phenylpyridine-4-carboxamide 
• 3034-31-9 N-phenylisonicotinamide 

Downstream Products

• 850162-87-7 3-phenylpyridine-4-carboxylic acid methyl ester 
• 850162-90-2 3-aza-9-hydroxy-9-fluorenylcarbonyl-L-prolyl-2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzylamide 
• 18631-22-6 5H-indeno[1,2-c]pyridin-5-one 
• 104096-15-3 3-phenylpyridine-4-carboxylic acid 
• 197786-42-8 3-(4-Cyanobenzyl)pyridin-4-carboxylic acid methyl ester 
• 873458-21-0 methyl 3-(4-fluoro-2-methylphenyl)isonicotinate 
• 36106-47-5 methyl 3-cyanopyridine-4-carboxylate 
• 1560949-30-5 3-(4-tert-butylphenyl)pyrano[4,3-c]pyridin-1-one 
• 1560949-35-0 3-(4-tert-butylphenyl)-3-hydroxy-3,4-dihydro-2H-[2,6]naphthyridin-1-one 
• 1560948-52-8 3-(4-tert-butyl-phenyl)-2H-[2,6]naphthyridin-1-one 
• 1560949-26-9 3-(4-tert-butylphenylethynyl)isonicotinic acid methyl ester 
• 185144-26-7 2-phenyl-3,4-dihydro-2,6-naphthyridin-1(2H)-one 

Relevant articles and documents

HEPATITIS B CORE PROTEIN MODULATORS

The present disclosure provides, in part, compounds having allosteric effector properties against Hepatitis B virus Cp. Also provided herein are methods of treating viral infections, such as hepatitis B, comprising administering to a patient in need thereof a disclosed compound of formula:

C2-Alkenylation of N-heteroaromatic compounds: Via Br?nsted acid catalysis

Substituted heteroaromatic compounds, especially those based on pyridine, hold a privileged position within drug discovery and medicinal chemistry. However, functionalisation of the C2 position of 6-membered heteroarenes is challenging because of (a) the difficulties of installing a halogen at this site and (b) the instability of C2 heteroaryl-metal reagents. Here we show that C2-alkenylated heteroaromatics can be accessed by simple Br?nsted acid catalysed union of diverse heteroarene N-oxides with alkenes. The approach is notable because (a) it is operationally simple, (b) the Br?nsted acid catalyst is cheap, non-toxic and sustainable, (c) the N-oxide activator disappears during the reaction, and (d) water is the sole stoichiometric byproduct of the process. The new protocol offers orthogonal functional group tolerance to metal-catalysed methods and can be integrated easily into synthetic sequences to provide polyfunctionalised targets. In broader terms, this study demonstrates how classical organic reactivity can still be used to provide solutions to contemporary synthetic challenges that might otherwise be approached using transition metal catalysis.

1-(2-PHENOXYMETHYLHETEROARYL)PIPERIDINE AND PIPERAZINE COMPOUNDS

The invention relates to compounds of formula I: where X, HAr, a, and R1 through R6 are as defined in the specification, or a pharmaceutically acceptable salt thereof. The compounds of formula I are serotonin and norepinephrine reuptake inhibitors. The invention also relates to pharmaceutical compositions comprising such compounds; methods of using such compounds; and process and intermediates for preparing such compounds.