62718-31-4

Basic information

• Product Name: 1-BENZYLPIPERIDINE-4-CARBONITRILE
• Synonyms: 1-BENZYLPIPERIDINE-4-CARBONITRILE;1-N-BENZYL-4-CYANOPIPERIDINE;OTAVA-BB 1369796;1-Benzylpiperidine-4-carbonitrile ,97%;4-Piperidinecarbonitrile, 1-(phenylMethyl)-
• CAS NO: 62718-31-4
• Molecular Formula: C₁₃H₁₆N₂
• Molecular Weight: 200.283
• Mol File: 62718-31-4.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 330.3 °C at 760 mmHg
• Flash Point: 139.6 °C
• Appearance: /
• Density: 1.06
• Vapor Pressure: 0.000168mmHg at 25°C
• Refractive Index: 1.563
• Storage Temp.: 2-8°C
• PKA: 6.95±0.10(Predicted)
• CAS DataBase Reference: 1-BENZYLPIPERIDINE-4-CARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BENZYLPIPERIDINE-4-CARBONITRILE(62718-31-4)
• EPA Substance Registry System: 1-BENZYLPIPERIDINE-4-CARBONITRILE(62718-31-4)

Safety Data

• Hazardous Substances Data: 62718-31-4(Hazardous Substances Data)

Usage

General Description

1-Benzylpiperidine-4-carbonitrile is a chemical compound with the molecular formula C15H18N2. It is a piperidine derivative with a benzyl group attached to the nitrogen atom and a carbonitrile group attached to the 4th carbon atom. 1-BENZYLPIPERIDINE-4-CARBONITRILE is commonly used in the synthesis of pharmaceuticals and other organic compounds. It has been found to have potential biological activities, especially in the realm of medicinal chemistry, making it valuable for drug discovery and development. Its unique structure and properties make it an important building block in the synthesis of various organic molecules and pharmaceuticals, and it is therefore of interest to researchers in both academia and industry.

InChI:InChI=1/C13H16N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-5,12H,6-9,11H2

Upstream product

• 10315-07-8 N-benzylpiperidine-4-carboxylic acid 
• 498-94-2 isonipecotic acid 
• 7462-86-4 methyl piperidine-4-carboxylate hydrochloride 
• 10315-06-7 1-benzylpiperidine-4-carboxylic acid methyl ester 
• 190446-85-6 tert-butyl 4-((hydroxyimino)methyl)piperidine-1-carboxylate 
• 88796-02-5 1-benzylpiperidine-4-carbaldehyde oxime 
• 137076-22-3 tert butyl 4-formylpiperidine-1-carboxylate 
• 3612-20-2 1-phenylmethyl-4-piperidone 
• 2942-58-7 diethyl cyanophosphonate 
• 4395-98-6 4-cyanopiperidine 
• 100-39-0 benzyl bromide 
• 1071043-38-3 Phosphoric acid 1-benzyl-4-cyano-piperidin-4-yl ester diethyl ester 
• 62992-68-1 1-benzyl-piperidine-4-carboxylic acid amide 

Downstream Products

• 88796-05-8 1-(1-Benzyl-piperidin-4-yl)-propan-1-one 
• 88796-07-0 1-(1-Benzyl-piperidin-4-yl)-pentan-1-one 
• 86542-84-9 (1-benzylpiperidin-4-yl)(cyclopentyl)methanone 
• 76315-69-0 [1-(phenylmethyl)-4-piperidinyl] (thien-2-yl)-methanone 
• 1014702-93-2 C₁₉H₂₀FNO 
• 55023-27-3 1-Benzyl-4-methylthiochinuclidinium-bromid 
• 22065-85-6 N-benzyl-4-formylpiperidine 
• 888965-98-8 1-benzyl-4-(2-methoxyphenyl)piperidine-4-carbonitrile 

Relevant articles and documents

Synthesis method of N-benzyl-4-piperidine formaldehyde

The invention belongs to the technical field of medicine synthesis, and particularly relates to a synthesis method of N-benzyl-4-piperidine formaldehyde. According to the invention, 4-piperidinecarboxylic acid is used as a raw material; an esterification reaction is carried out to generate 4-methyl piperidinecarboxylate hydrochloride; an alkylation reaction is carried out on N-benzyl-4-methyl piperidinecarboxylate hydrochloride to generate N-benzyl-4-methyl piperidinecarboxylate; n-benzyl-4-methyl piperidinecarboxylate is hydrolyzed to obtain N-benzyl-4-piperidinecarboxylic acid, N-benzyl-4-piperidinecarboxylic acid is subjected to an acylation reaction to generate N-benzyl-4-piperidinecarboxamide, N-benzyl-4-piperidinecarboxamide is dehydrated to obtain 1-benzylpiperidine-4-nitrile, and 1-benzylpiperidine-4-nitrile is subjected to a reduction reaction to generate N-benzyl-4-piperidineformaldehyde. The method is mild in reaction condition, simple in aftertreatment and high in yield, N-benzyl-4-piperidinecarboxaldehyde can be obtained at the high yield at the temperature of 0 DEG C, column chromatography is not needed, and repeatability is high.

Copper-Catalyzed Alkylation of Nitroalkanes with α-Bromonitriles: Synthesis of β-Cyanonitroalkanes

Copper catalysis now enables the efficient C-alkylation of nitroalkanes with α-bromonitriles. Using a simple and inexpensive catalyst, this process provides access to β-cyanonitroalkanes. The method is highly tolerant of various functional groups and substitution patterns. These functionally dense products serve as orthogonally masked 1,3-diamines, which can be revealed selectively for access to differentially substituted diamines. These products can also be exploited for the formation of complex cyanoalkenes and 5-aminoisoxazoles.

Synthesis of the pleuromutilin antibiotic SB-268091: A new practical and efficient synthesis of quinuclidine-4-thiol

A synthesis of the pleuromutilin antibiotic SB-268091 is described which includes a new and improved route to the quinuclidine-4-thiol ligand. This chemistry has been run on multikilo scale and involved a reductive double debenzylation using sodium in liquid ammonia. Alternative conditions have been developed to prepare quinuclidine-4-thiol which avoid the use of sodium in liquid ammonia. The generality of this process to prepare differentially S-protected quinuclidine-4-thiols is also discussed and exemplified by the preparation of a range of analogues.