927-56-0

Basic information

• Product Name: 4-oxopentanenitrile
• Synonyms: 4-oxopentanenitrile;Pentanenitrile, 4-oxo-
• CAS NO: 927-56-0
• Molecular Formula: C₅H₇NO
• Molecular Weight: 97.12
• Mol File: 927-56-0.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 216.7°Cat760mmHg
• Flash Point: 84.8°C
• Appearance: /
• Density: 0.956g/cm³
• Vapor Pressure: 0.138mmHg at 25°C
• Refractive Index: 1.409
• CAS DataBase Reference: 4-oxopentanenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-oxopentanenitrile(927-56-0)
• EPA Substance Registry System: 4-oxopentanenitrile(927-56-0)

Safety Data

• Hazardous Substances Data: 927-56-0(Hazardous Substances Data)

Usage

General Description

4-oxopentanenitrile, also known as 2,4-Pentanedione nitrile, is a chemical compound with the molecular formula C5H7NO. It is a colorless liquid with a fruity odor, commonly used as a flavor and fragrance agent in the food and cosmetic industries. 4-oxopentanenitrile is also used in the synthesis of pharmaceuticals and as an intermediate in organic reactions. It has the potential to act as a respiratory irritant and may cause skin and eye irritation upon contact. Due to its reactivity, it should be handled with care and stored in a cool, dry place away from heat and direct sunlight.

InChI:InChI=1/C5H7NO/c1-5(7)3-2-4-6/h2-3H2,1H3

Upstream product

• 16506-99-3 4-nitro-valeronitrile 
• 74-90-8 hydrogen cyanide 
• 151-50-8 potassium cyanide 
• 78-94-4 methyl vinyl ketone 
• 75-07-0 acetaldehyde 
• 107-13-1 acrylonitrile 
• 108-24-7 acetic anhydride 
• 123-76-2 levulinic acid 
• 75-05-8 acetonitrile 
• 16529-66-1 3-Pentenenitrile 
• 28509-46-8 bromomethyl acetone 
• 56-87-1 L-lysine 
• 75819-97-5 2-hydroxy-2-methylbut-3-enenitrile 
• 109-89-7 diethylamine 

Downstream Products

• 19041-15-7 (S)-γ-valerolactone 
• 591-77-5 1-methyl-1,4-butanediamine 
• 136490-48-7 4-(2,4-dinitro-phenylhydrazono)-valeronitrile 
• 539-88-8 4-oxopentanoic acid ethyl ester 
• 123-76-2 levulinic acid 
• 636-41-9 2-methyl-1H-pyrrole 
• 765-38-8 2-methyl-1-pyrrolidine 
• 645-67-0 n-propyl levulinate 
• 96428-88-5 3-(amidinomethyl)-2-methyl-8-(phenylmethoxy)imidazo<1,2-a>pyridine 
• 79707-13-4 3-(cyanomethyl)-2-methyl-8-<(phenylmethyl)amino>imidazo<1,2-a>pyridine 
• 96428-67-0 3-(2-imidazolinylmethyl)-2-methyl-8-(phenylmethoxy)imidazo<1,2-a>pyridine 
• 96428-43-2 [8-(4-Methanesulfonyl-benzyloxy)-2-methyl-imidazo[1,2-a]pyridin-3-yl]-acetonitrile 
• 96428-65-8 3-<(dimethylthiocarbamoyl)methyl>-2-methyl-8-(phenylmethoxy)imidazo<1,2-a>pyridine 
• 96428-64-7 2-methyl-3-<(dimethylcarbamoyl)methyl>-8-(phenylmethoxy)imidazo<1,2-a>pyridine 

Relevant articles and documents

Direct preparation of nitriles from carboxylic acids in continuous flow

A continuous-flow protocol for the preparation of organic nitriles from carboxylic acids has been developed. The method is based on the acid-nitrile exchange reaction with acetonitrile, used as the solvent, and takes place without any catalyst or additives under the high-temperature/high-pressure conditions employed. At 350 C and 65 bar, where acetonitrile is in its supercritical state, the transformation of benzoic acid to benzonitrile requires 25 min. The protocol has been tested for a variety of nitriles, including aromatic and aliphatic substrates.

Wacker-type oxidation of internal olefins using a PdCl2/N,N- dimethylacetamide catalyst system under copper-free reaction conditions

(Figure Presented) A simple catalyst system consisting of PdCl2 and N,N-dimethylacetamide (DMA) as the solvent can successfully promote Wacker-type oxidation of internal olefins. This catalyst system does not require copper compounds and is tolerant of a wide range of substrates having internal olefins.

Acetylcyanation of aldehydes with acetone cyanohydrin and isopropenyl acetate by Cp*2Sm(thf)2

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