46177-21-3

Basic information

• Product Name: 2-benzoylMalononitrile
• Synonyms: 2-benzoylMalononitrile;Malononitrile,benzoyl- (6CI,7CI)
• CAS NO: 46177-21-3
• Molecular Formula: C₁₀H₆N₂O
• Molecular Weight: 170.16744
• Mol File: 46177-21-3.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 355.2°Cat760mmHg
• Flash Point: 168.6°C
• Appearance: /
• Density: 1.205g/cm³
• Vapor Pressure: 3.18E-05mmHg at 25°C
• Refractive Index: 1.555
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2-benzoylMalononitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-benzoylMalononitrile(46177-21-3)
• EPA Substance Registry System: 2-benzoylMalononitrile(46177-21-3)

Safety Data

• Hazardous Substances Data: 46177-21-3(Hazardous Substances Data)

Usage

General Description

2-benzoylmalononitrile, also known as benzylidenecyanoacetate, is a chemical compound that belongs to the class of organic compounds known as malononitriles. It has the molecular formula C11H7N3O and a molecular weight of 193.2 g/mol. 2-benzoylmalononitrile is a yellow solid that is commonly used in organic synthesis as a precursor for various functionalized organic compounds, particularly those with biologically active properties. It is also used as a building block in the production of heterocyclic compounds and can undergo various chemical reactions, such as the Knoevenagel condensation, to form new carbon-carbon bonds. Additionally, 2-benzoylmalononitrile has been investigated for its potential medicinal applications, particularly as an anti-tumor and anti-inflammatory agent.

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

Upstream product

• 98-88-4 benzoyl chloride 
• 109-77-3 malononitrile 
• 93-97-0 benzoic acid anhydride 
• 60759-50-4 3-acyl-2-oxazolone(R=Ph) 
• 143-33-9 sodium cyanide 
• 98-86-2 acetophenone 
• 613-90-1 benzoyl cyanide 

Downstream Products

• 1347473-85-1 C₁₂H₁₁N₅ 
• 129852-40-0 1,3-Diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine 
• 186895-73-8 C₁₈H₁₅N₅O 
• 58829-75-7 5-amino-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile 
• 5515-31-1 5-amino-1,3-diphenylpyrazole-4-carbonitrile 
• 42754-56-3 2-(methoxyphenylmethylene)malononitrile 
• 96583-92-5 6-amino-2-chloro-4-phenylpyridine-3,5-dicarbonitrile 
• 18270-64-9 2-cyano-3-azidocinnamonitrile 
• 3336-65-0 (α-Aminobenzyliden)propandinitril 
• 115188-67-5 N,N'-bis-(2,2-dicyano-1-phenyl-vinyl)-ethylenediamine 
• 101601-33-6 (α-benzylamino-benzylidene)-malononitrile 
• 100714-33-8 (α-butylamino-benzylidene)-malononitrile 
• 106421-66-3 2[N,N-diethylamino(phenyl)methylene]propanedinitrile 
• 6123-68-8 (Anilinophenylmethylen)malononitril 

Relevant articles and documents

Synthesis of 2,5,7-triaryl-4,7(6,7)-dihydropyrazolo[1,5-a]pyrimidine-3- carbonitriles by reaction of 5(3)-amino-3(5)-aryl-1H-pyrazole-4-carbonitriles with chalcones

The reaction of 5(3)-amino-3(5)-aryl-1H-pyrazole-4-carbonitriles with 1,3-diaryl-2-propen-1-ones (chalcones) in refluxing DMF leads to 2,5,7-triaryl-4,7(6,7)-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitriles. In DMSO solution, the latter exist in equilibri

SmCl3-catalyzed C-acylation of 1,3-dicarbonyl compounds and malononitrile

(Chemical Equation Presented) A recyclable, convenient, and efficient catalytic system for C-acylation of 1,3-dicarbonyl compounds and malononitrile with acid chlorides has been developed, giving moderate to excellent yields under mild conditions. This is the first catalytic example of such reactions. In addition, by applying this protocol as the key step, 3,5-disubstituted-1H- pyrazole-4-carboxylate can easily be synthesized in high yields in a one-pot procedure.

MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE

Compounds having a high conductance-type of calcium-activated K channel opening effect and a smooth muscle relaxant effect for bladder based on the K-channel opening effect, which can be used in treating pollakiuria and urinary incontinence, are provided. 3,5-Dicyanopyridine derivatives or their salts.