760-58-7

Basic information

• Product Name: 2-cyano-4-Methylpent-2-enoic acid
• Synonyms: 2-cyano-4-Methylpent-2-enoic acid
• CAS NO: 760-58-7
• Molecular Formula: C₇H₉NO₂
• Molecular Weight: 139.15186
• Mol File: 760-58-7.mol
• Article Data: 7

Chemical Properties

• Melting Point: 88 °C
• Boiling Point: 283.1°Cat760mmHg
• Flash Point: 125°C
• Appearance: /
• Density: 1.105g/cm³
• Vapor Pressure: 0.000844mmHg at 25°C
• Refractive Index: 1.48
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 1.71±0.19(Predicted)
• CAS DataBase Reference: 2-cyano-4-Methylpent-2-enoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-cyano-4-Methylpent-2-enoic acid(760-58-7)
• EPA Substance Registry System: 2-cyano-4-Methylpent-2-enoic acid(760-58-7)

Safety Data

• Hazardous Substances Data: 760-58-7(Hazardous Substances Data)

Usage

General Description

"2-Cyano-4-Methylpent-2-enoic acid" is a chemical compound with the molecular formula C8H11NO2. It is an organic compound with a nitrile group (CN) and a carboxylic acid group (COOH). 2-cyano-4-Methylpent-2-enoic acid is also known as 4-methyl-2-pentenoic acid, and it is used in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It is a colorless liquid with a boiling point of 217-219°C and a melting point of 55-56°C. 2-cyano-4-Methylpent-2-enoic acid is an important intermediate in organic synthesis and has various industrial applications.

InChI:InChI=1/C7H9NO2/c1-5(2)3-6(4-8)7(9)10/h3,5H,1-2H3,(H,9,10)

Upstream product

• 372-09-8 cyanoacetic acid 
• 78-84-2 isobutyraldehyde 
• 590-86-3 isovaleraldehyde 

Downstream Products

• 18283-41-5 2-cyano-4-methylpentanoic acid 
• 100869-07-6 2-(aminomethyl)-4-methylpentanoic acid 
• 1575590-29-2 2-[3-[[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]azetidine-1-carbonyl]-4-methyl-pent-2-enenitrile 
• 1575590-07-6 2-[2-[[4-amino-3-(2-fluoro-4-phenoxy-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]azetidine-1-carbonyl]-4-methyl-pent-2-enenitrile 
• 1575590-56-5 2-[3-[4-amino-3-(2-fluoro-4-phenoxy-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl] azetidine-1-carbonyl]-4-methyl-pent-2-enenitrile 

Relevant articles and documents

Design, synthesis, and biological evaluation of quinazoline derivatives with covalent reversible warheads as potential FGFR4 inhibitors

Fibroblast growth factor receptor 4 (FGFR4) together with co-receptors modulate the activation of downstream proteins that regulate fundamental processes, and elevated FGFR4 activity is associated with Hepatocellular Carcinoma (HCC). Hence, FGFR4 is a promising therapeutic target for HCC. Based on BLU9931, we designed and synthesized a series of phenylquinazoline derivatives as novel inhibitors of FGFR4 through the covalent reversible strategy. Among them, a novel compound (C3) showed FGFR4 and cell proliferation inhibitory activity. Cellular mechanism studies demonstrated that compound C3 induced apoptosis via the FGFR4 signaling pathway blockage. Further mechanism study showed that C3 has the reversible covalent binding capacity, could be used as a reference for the development of novel FGFR4 covalent reversible inhibitors.

Nitrile as activating group in the asymmetric bioreduction of β-cyanoacrylic acids catalyzed by ene-reductases

Asymmetric bioreduction of an (E)-β-cyano-2,4-dienoic acid derivative by ene-reductases allowed a shortened access to a precursor of pregabalin [(S)-3-(aminomethyl)-5-methylhexanoic acid] possessing the desired configuration in up to 94% conversion and >99% ee. Deuterium labelling studies showed that the nitrile moiety was the preferred activating/anchor group in the active site of the enzyme over the carboxylic acid or the corresponding methyl ester.

PYRAZOLOPYRIMIDINE COMPOUNDS AS KINASE INHIBITORS

The present disclosure provides compounds of Formula (LA) and/ or pharmaceutically acceptable salts thereof that are tyrosine kinase inhibitors, in particular BTK, and are potentially useful for the treatment of diseases treatable by inhibition of ty r-osine kinases such as cancer, inflammatory diseases such as arthritis, and the like. Also provided are pharmaceutical compositions containing such compounds and/or pharmaceutically acceptable salts thereof and processes for preparing such compounds and p h ar-maceutically acceptable salts thereof