71292-11-0

Basic information

• Product Name: 4-(2-CYANOACETYL)BENZENECARBONITRILE
• Synonyms: 4-(2-CYANOACETYL)BENZENECARBONITRILE;4-(2-CYANOACETYL)BENZONITRILE;4-(Cyanoacetyl)benzonitrile
• CAS NO: 71292-11-0
• Molecular Formula: C₁₀H₆N₂O
• Molecular Weight: 170.17
• Mol File: 71292-11-0.mol
• Article Data: 12

Chemical Properties

• Melting Point: 126-129℃
• Boiling Point: 408.1 °C at 760 mmHg
• Flash Point: 200.6 °C
• Appearance: /
• Density: 1.21
• Vapor Pressure: 7.16E-07mmHg at 25°C
• Refractive Index: 1.558
• Storage Temp.: 2-8°C
• PKA: 6.59±0.10(Predicted)
• CAS DataBase Reference: 4-(2-CYANOACETYL)BENZENECARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-CYANOACETYL)BENZENECARBONITRILE(71292-11-0)
• EPA Substance Registry System: 4-(2-CYANOACETYL)BENZENECARBONITRILE(71292-11-0)

Safety Data

• Hazardous Substances Data: 71292-11-0(Hazardous Substances Data)

Usage

General Description

4-(2-Cyanoacetyl)benzenecarbonitrile, also known as 2-Cyano-N-(4-cyanophenyl)acetamide, is a chemical compound with the molecular formula C16H9N3O. It is a synthetic intermediate used in the production of pharmaceuticals and agrochemicals. 4-(2-Cyanoacetyl)benzenecarbonitrile has potential applications in the field of medicinal chemistry and drug development due to its versatile reactivity and ability to participate in various chemical transformations. Its structure consists of a benzene ring with a cyanoacetyl group attached to the aromatic ring, making it an important building block for the synthesis of more complex organic molecules. Additionally, 4-(2-Cyanoacetyl)benzenecarbonitrile is known for its high purity and stability, making it a valuable reagent in chemical research and industrial processes.

InChI:InChI=1/C10H6N2O/c11-6-5-10(13)9-3-1-8(7-12)2-4-9/h1-4H,5H2

Upstream product

• 1443-80-7 4-cyanophenyl methyl ketone 
• 143-33-9 sodium cyanide 
• 13138-21-1 diazoacetonitrile 
• 105-07-7 4-cyanobenzaldehyde 
• 7153-22-2 ethyl 4-cyanobenzoate 
• 75-05-8 acetonitrile 
• 619-65-8 4-cyanobenzoic Acid 
• 773837-37-9 sodium cyanide 
• 20099-89-2 4-Cyanophenacyl bromide 
• 18293-53-3 2-trimethylsilylacetonitrile 
• 3058-39-7 4-iodobenzonitrile 
• 13939-06-5 molybdenum hexacarbonyl 
• 201230-82-2 carbon monoxide 
• 1129-35-7 4-cyanobenzoic acid methyl ester 

Downstream Products

• 1607840-37-8 C₁₄H₁₃N₅O₂S 
• 1607831-11-7 7-(4-cyanophenyl)-2-thioxo-2,3-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazin-4-one 
• 1415336-63-8 4-[2-cyano-7-(trimethylsilyl)hept-6-ynoyl]benzonitrile 
• 1364441-47-3 2,6-bis(4-cyanophenyl)-4-phenylpyridine-3,5-dicarbonitrile 

Relevant articles and documents

Polysubstituted heterocyclic derivative, preparation method thereof and application of polysubstituted heterocyclic derivative in medicine

The invention provides a polysubstituted heterocyclic derivative, a preparation method thereof and application of the polysubstituted heterocyclic derivative in medicine, and belongs to the technical field of medicinal chemistry. The polysubstituted heterocyclic derivative is a compound shown in a general formula I or II, a pharmaceutically acceptable salt or a solvate of the compound, and the compound can inhibit mRNA demethylase on the protease level and is used for treating diseases related to mRNA demethylase functions.

One-Pot Four-Component Coupling Approach to Polyheterocycles: 6 H-Furo[3,2- f]pyrrolo[1,2- d][1,4]diazepine

A novel polyheterocyclic chemical space, 6H-furo[3,2-f]pyrrolo[1,2-d][1,4]diazepine, was generated by a one-pot four-component coupling reaction where multiple bonds (three C-C, one C-O, and one C-N) were formed through a domino sequence. Two heterocyclic rings (furan and diazepine) were sequentially constructed from the monocyclic pyrrole derivative under environment-friendly reaction conditions to furnish the tricyclic fused scaffold.

Palladium-Catalyzed Carbonylative α-Arylation of tert -Butyl Cyanoacetate with (Hetero)aryl Bromides

A three-component coupling protocol has been developed for the generation of 3-oxo-3-(hetero)arylpropanenitriles via a carbonylative palladium-catalyzed α-arylation of tert-butyl 2-cyanoacetates with (hetero)aryl bromides followed by an acid-mediated decarboxylation step. Through the combination of only a stoichiometric loading of carbon monoxide and mild basic reaction conditions such as MgCl2 and dicyclohexylmethylamine for the deprotonation step, an excellent functional group tolerance was ensured for the methodology. Through the use of 13C-labeled carbon monoxide generated from 13COgen, the corresponding 13C-isotopically labeled β-ketonitriles were obtained, and these products could subsequently be converted into cyanoalkynes and 3-cyanobenzofurans with site specific 13C-isotope labeling. (Chemical Equation Presented).