72752-52-4

Basic information

• Product Name: 2-PIPERIDINOBENZONITRILE
• Synonyms: 2-PIPERIDINOBENZENECARBONITRILE;2-PIPERIDINOBENZONITRILE;2-(1-PIPERIDINO)BENZONITRILE;BUTTPARK 33\12-73;1-(2-cyanophenyl)piperidine;2-(1-PIPERIDINE)BENZONITRILE;2-(1-Piperidinyl)benzonitrile, 97%;Piperidinyl)benzonitril
• CAS NO: 72752-52-4
• Molecular Formula: C₁₂H₁₄N₂
• Molecular Weight: 186.25
• EINECS: 427-380-4
• Mol File: 72752-52-4.mol
• Article Data: 11

Chemical Properties

• Melting Point: 45 °C
• Boiling Point: 122-125°C 1mm
• Flash Point: 122-125°C/1mm
• Appearance: /
• Density: 1.09g/cm³
• Vapor Pressure: 0.000108mmHg at 25°C
• Refractive Index: 1.577
• Storage Temp.: 2-8°C
• PKA: 3.61±0.40(Predicted)
• BRN: 1243909
• CAS DataBase Reference: 2-PIPERIDINOBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-PIPERIDINOBENZONITRILE(72752-52-4)
• EPA Substance Registry System: 2-PIPERIDINOBENZONITRILE(72752-52-4)

Safety Data

• Statements: 20/21/22
• Safety Statements: 22-36/37/39
• RIDADR: 3276
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 72752-52-4(Hazardous Substances Data)

Usage

General Description

2-PIPERIDINOBENZONITRILE is a chemical compound with the molecular formula C13H14N2. It is a white crystalline powder with a molecular weight of 198.26 g/mol. 2-PIPERIDINOBENZONITRILE is used as an intermediate in the synthesis of pharmaceutical compounds and other organic substances. It is also known for its use as a building block in the production of various drug molecules, such as antipsychotic and other central nervous system drugs. Additionally, it has been studied for its potential biological activities and pharmacological properties. Overall, 2-PIPERIDINOBENZONITRILE is a versatile compound with diverse applications in the pharmaceutical and chemical industries.

InChI:InChI=1/C12H14N2/c13-10-11-6-2-3-7-12(11)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9H2

Upstream product

• 110-89-4 piperidine 
• 873-32-5 2-Chlorobenzonitrile 
• 138313-23-2 2-<(trifluoromethanesulfonyl)oxy>benzonitrile 
• 611-20-1 salicylonitrile 
• 394-47-8 2-fluorobenzonitrile 
• 201230-82-2 carbon monoxide 
• 157428-86-9 N-(but-3-enyl)-2-cyanobenzenamine 

Downstream Products

• 332347-70-3 3-methyl-1-(2-(1-piperidinyl)phenyl)butan-1-ol 
• 42093-97-0 2-(piperidin-1-yl)benzoic acid 
• 131269-45-9 (Z)-2-Piperidino-benzamidoxim 
• 1026540-82-8 C-phenyl-C-(2-piperidin-1-yl-phenyl)-methyleneamine 
• 89606-21-3 2-phenyl-1-(2-piperidin-1-yl-phenyl)-ethylideneamine 

Relevant articles and documents

SNAr reaction in aqueous medium in the presence of mixed organic and inorganic bases

N-Arylation of amines with fluorobenzonitriles in aqueous medium is described. A mixture of N,N-diisopropylethyl amine and Na2CO3 (1:1) is found to achieve maximum conversion by refluxing for 3 hours in water. The product can be easily isolated by solvent extraction.

Efficient construction of C=N double bonds via acceptorless dehydrogenative coupling

The efficient construction of C=N double bonds has been achieved by the Ir-catalyzed intramolecular acceptorless dehydrogenative cross-coupling of tertiary amines and amides. An iridium/2-hydroxypyridine complex was identified as the highly efficient catalyst. A number of quinazolinone derivatives was prepared in excellent yields. An iridium-mediated C-H activation mechanism is proposed. This finding provides an unprecedented strategy for the direct imidation of sp3 C-H bonds.

Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses

This invention relates to poly-substituted derivatives of the N-(benzyl)phenylacetamide type, pharmaceutical compositions comprising same, therapeutic uses thereof, more particularly in the fields of human and animal health. This invention also relates to a process for the preparation of such derivatives.