175696-74-9

Basic information

• Product Name: 3-PIPERIDIN-1-YLBENZONITRILE
• Synonyms: 3-PIPERIDIN-1-YLBENZONITRILE;3-Piperidine-1-ylbenzonitrile;3-(1-piperidinyl)benzonitrile;3-Piperidin-1-ylbenzonitrile97%
• CAS NO: 175696-74-9
• Molecular Formula: C₁₂H₁₄N₂
• Molecular Weight: 186.25
• Mol File: 175696-74-9.mol
• Article Data: 14

Chemical Properties

• Melting Point: 133 °C
• Boiling Point: 332.6 °C at 760 mmHg
• Flash Point: 144.8 °C
• Appearance: /
• Density: 1.09 g/cm³
• Vapor Pressure: 0.000144mmHg at 25°C
• Refractive Index: 1.577
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-PIPERIDIN-1-YLBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-PIPERIDIN-1-YLBENZONITRILE(175696-74-9)
• EPA Substance Registry System: 3-PIPERIDIN-1-YLBENZONITRILE(175696-74-9)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 175696-74-9(Hazardous Substances Data)

Usage

General Description

3-PIPERIDIN-1-YLBENZONITRILE is a chemical compound that consists of a piperidine ring and a benzene ring linked by a nitrile group. It is used as a building block in the synthesis of various pharmaceuticals and organic compounds. 3-PIPERIDIN-1-YLBENZONITRILE has been studied for its potential medicinal properties and has shown promise in the development of new drugs for the treatment of various medical conditions. It is also used as an intermediate in the production of agricultural chemicals, fragrances, and other industrial products. 3-PIPERIDIN-1-YLBENZONITRILE is considered to be a versatile and important chemical in organic chemistry and drug discovery efforts.

InChI:InChI=1/C12H14N2/c13-10-11-5-4-6-12(9-11)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8H2

Upstream product

• 111-24-0 1,5-dibromo-pentane 
• 2237-30-1 m-cyanoaniline 
• 110-89-4 piperidine 
• 403-54-3 m-Fluorobenzonitrile 
• 6952-59-6 3-cyanobromobenzene 
• 250681-79-9 N-(3-amino-4-methylphenyl)-3-piperidinobenzamide 
• 2156-71-0 N-chloropiperidine 
• 214360-46-0 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 

Downstream Products

• 175696-71-6 (3-(piperidin-1-yl)phenyl)methanamine 

Relevant articles and documents

Spectroscopic Studies of the Chan-Lam Amination: A Mechanism-Inspired Solution to Boronic Ester Reactivity

We report an investigation of the Chan-Lam amination reaction. A combination of spectroscopy, computational modeling, and crystallography has identified the structures of key intermediates and allowed a complete mechanistic description to be presented, including off-cycle inhibitory processes, the source of amine and organoboron reactivity issues, and the origin of competing oxidation/protodeboronation side reactions. Identification of key mechanistic events has allowed the development of a simple solution to these issues: manipulating Cu(I) → Cu(II) oxidation and exploiting three synergistic roles of boric acid has allowed the development of a general catalytic Chan-Lam amination, overcoming long-standing and unsolved amine and organoboron limitations of this valuable transformation.

A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters

With the ever-increasing instances of resistance to frontline TB drugs there is the need to develop novel strategies to fight the worldwide TB epidemic. Boosting the effect of the existing second-line antibiotic ethionamide by inhibiting the mycobacterial

PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA

Disclosed are novel compounds of formula (I) wherein R1, R2, R3 , R4 and A are as defined herein, which are useful as inhibitors of PKC-theta and are thus useful for treating a variety of diseases and disorders