876919-08-3

Basic information

• Product Name: METHYL 3-FLUOROISONICOTINATE
• Synonyms: METHYL 3-FLUOROISONICOTINATE;Methyl 3-fluoroisonicotinic;3-Fluoro-4-Pyridinecarboxylic Acid Methyl Ester;methyl 3-fluoropyridine-4-carboxylate;Methyl 3-Fluoroisonicotinate(WXC00989)
• CAS NO: 876919-08-3
• Molecular Formula: C₇H₆FNO₂
• Molecular Weight: 155.13
• Mol File: 876919-08-3.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 206.8 °C at 760 mmHg
• Flash Point: 78.9 °C
• Appearance: /
• Density: 1.243g/cm³
• Vapor Pressure: 0.233mmHg at 25°C
• Refractive Index: 1.49
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 0.69±0.18(Predicted)
• CAS DataBase Reference: METHYL 3-FLUOROISONICOTINATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 3-FLUOROISONICOTINATE(876919-08-3)
• EPA Substance Registry System: METHYL 3-FLUOROISONICOTINATE(876919-08-3)

Safety Data

• Hazardous Substances Data: 876919-08-3(Hazardous Substances Data)

Usage

General Description

Methyl 3-fluoroisonicotinate is a chemical compound with the molecular formula C7H6FNO2. It is a derivative of isonicotinic acid and contains a methyl group and a fluorine atom. METHYL 3-FLUOROISONICOTINATE is commonly used in the synthesis of pharmaceuticals and agrochemicals. Its properties and functional groups make it a versatile and valuable building block in organic chemistry. Due to its potential applications, it is an important target for research and development in the field of chemical synthesis.

InChI:InChI=1/C7H6FNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3

Upstream product

• 67-56-1 methanol 
• 393-53-3 3-fluoroisonicotinic acid 
• 103698-10-8 methyl 3-nitropyridine-4-carboxylate 

Downstream Products

• 870063-60-8 3-fluoro-4-(hydroxymethyl)pyridine 
• 1227594-82-2 methyl 2-trifluoromethyl-3-fluoro-4-pyridinecarboxylate 
• 886510-09-4 2-trifluoromethyl-3-fluoro-4-pyridinecarboxylic acid 
• 1851373-36-8 3-({[(1S)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid 
• 1437790-21-0 methyl 3-(((1S,4r)-4-((S)-5,5-dimethyl-2-oxo-4-phenyloxazolidin-3-yl)cyclohexyl)amino)isonicotinate 
• 884501-77-3 C₁₅H₁₂FNO₃ 
• 628691-95-2 methyl 2-chloro-3-fluoropyridine-4-carboxylate 
• 876919-10-7 methyl 2-chloro-5-fluoroisonicotinate 

Relevant articles and documents

A simple synthetic route to methyl 3-fluoropyridine-4-carboxylate by nucleophilic aromatic substitution

The nitro group of methyl 3-nitropyridine-4-carboxylate (1) has successfully been replaced by fluoride anion via nucleophilic aromatic substitution to give the 3-fluoropyridine-4-carboxylate 2.

FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING)

The present invention relates to compound-linker constructs and antibody-drug-conjugates of compounds of formula (I) that are useful as modulators of STING (Stimulator of Interferon Genes).

Spin-Center Shift-Enabled Direct Enantioselective α-Benzylation of Aldehydes with Alcohols

Nature routinely engages alcohols as leaving groups, as DNA biosynthesis relies on the removal of water from ribonucleoside diphosphates by a radical-mediated "spin-center shift" (SCS) mechanism. Alcohols, however, remain underused as alkylating agents in synthetic chemistry due to their low reactivity in two-electron pathways. We report herein an enantioselective α-benzylation of aldehydes using alcohols as alkylating agents based on the mechanistic principle of spin-center shift. This strategy harnesses the dual activation modes of photoredox and organocatalysis, engaging the alcohol by SCS and capturing the resulting benzylic radical with a catalytically generated enamine. Mechanistic studies provide evidence for SCS as a key elementary step, identify the origins of competing reactions, and enable improvements in chemoselectivity by rational photocatalyst design.