21667-63-0

Basic information

• Product Name: 3-(2-CYANOACETYL)BENZONIRILE
• Synonyms: 3-Cyanobenzoylacetonitrile;Benzenepropanenitrile, 3-cyano-b-oxo-;3-Cyano-b-oxo-benzenepropanenitrile;3-(2-CYANOACETYL)BENZONIRILE
• CAS NO: 21667-63-0
• Molecular Formula: C₁₀H₆N₂O
• Molecular Weight: 170.17
• EINECS: 1533716-785-6
• Mol File: 21667-63-0.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 379.636 °C at 760 mmHg
• Flash Point: 183.397 °C
• Appearance: /
• Density: 1.21
• PKA: 6.79±0.10(Predicted)
• CAS DataBase Reference: 3-(2-CYANOACETYL)BENZONIRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2-CYANOACETYL)BENZONIRILE(21667-63-0)
• EPA Substance Registry System: 3-(2-CYANOACETYL)BENZONIRILE(21667-63-0)

Safety Data

• Hazardous Substances Data: 21667-63-0(Hazardous Substances Data)

Usage

General Description

3-(2-Cyanoacetyl)benzonitrile is an organic compound with the molecular formula C11H7N3O. It is a pale yellow solid that is commonly used as a building block in organic synthesis. The compound contains a benzene ring with a cyanoacetyl group attached to it at the 3-position. This functional group makes 3-(2-Cyanoacetyl)benzonitrile a versatile intermediate for the production of various pharmaceuticals, agrochemicals, and dyes. It is also used in the synthesis of heterocyclic compounds and as a precursor for the preparation of fluorescent dyes and other organic molecules. Furthermore, its chemical properties allow for further functionalization and modification, making it an important reagent in organic chemistry.

Upstream product

• 1877-72-1 3-Cyanobenzoic acid 
• 13531-48-1 methyl 3-cyanobenzoate 
• 75-05-8 acetonitrile 

Downstream Products

• 1800082-10-3 3-(5-amino-1H-pyrazol-3-yl)benzonitrile 
• 836683-15-9 3-[5-amino-4-(3-cyanobenzoyl)-pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide 

Relevant articles and documents

Divergent Reactivity in the Reaction of β-Oxodithioesters and Hydroxylamine: Access to β-Ketonitriles and Isoxazoles

Starting from β-oxodithioesters and hydroxylamine, two completely different transformations afford either β-ketonitriles or isoxazoles with high chemoselectivity depending on the reaction conditions. The reaction of β-oxodithioesters with hydroxylamine in EtOH at room temperature in daylight gave β-ketonitriles in high yields. On the other hand, 3-methylthio-isoxazoles were efficiently obtained as the final products by heating the mixture of β-oxodithioesters and hydroxylamine in HOAc at 90 °C.

NOVEL HERBICIDES, USAGE THEREOF, NOVEL THIENOPYRIMIDINE DERIVATIVES, INTERMEDIATES OF THE SAME, AND PROCESS FOR PRODUCTION THEREOF

A herbicide comprising, as an active ingredient, a substituted thienopyrimidine derivative represented by the formula (I): wherein all symbols are defined in the description, a method of using the same, a novel compound useful as the herbicide and a process for producing the same, and an intermediate thereof.