112809-49-1

Basic information

• Product Name: 4-(PYRIDIN-3-YLMETHYL)BENZONITRILE
• Synonyms: 4-(PYRIDIN-3-YLMETHYL)BENZONITRILE;Benzonitrile, 4-(3-pyridinylMethyl)-;4-(3-pyridinylmethyl)benzonitrile
• CAS NO: 112809-49-1
• Molecular Formula: C₁₃H₁₀N₂
• Molecular Weight: 194.2319
• Mol File: 112809-49-1.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 363.6°C at 760 mmHg
• Flash Point: 125.1°C
• Appearance: /
• Density: 1.14g/cm³
• Vapor Pressure: 1.78E-05mmHg at 25°C
• Refractive Index: 1.605
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4-(PYRIDIN-3-YLMETHYL)BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(PYRIDIN-3-YLMETHYL)BENZONITRILE(112809-49-1)
• EPA Substance Registry System: 4-(PYRIDIN-3-YLMETHYL)BENZONITRILE(112809-49-1)

Safety Data

• Hazardous Substances Data: 112809-49-1(Hazardous Substances Data)

Usage

Description

4-(PYRIDIN-3-YLMETHYL)BENZONITRILE, also known as 3-cyanomethylpyridine, is a chemical compound characterized by the molecular formula C14H11N2. It is a colorless to pale yellow liquid with a strong aromatic odor, and is recognized for its use as an intermediate in the pharmaceutical and agrochemical industries. Due to its flammable nature and potential to release toxic fumes when heated, it is classified as an irritant to the skin, eyes, and respiratory system, necessitating careful handling and storage.

Uses

Used in Pharmaceutical Industry:
4-(PYRIDIN-3-YLMETHYL)BENZONITRILE is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure allows it to be a key component in the development of new drugs, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 4-(PYRIDIN-3-YLMETHYL)BENZONITRILE serves as an intermediate in the production of agrochemicals. It plays a crucial role in the synthesis of compounds that are utilized in crop protection and other agricultural applications, thereby supporting food security and crop yield enhancement.
Given the specific nature of its applications and the industries it serves, 4-(PYRIDIN-3-YLMETHYL)BENZONITRILE is a significant compound in the realm of chemical synthesis, underpinning the creation of a variety of products that have practical applications in both healthcare and agriculture.

InChI:InChI=1/C13H10N2/c14-9-12-5-3-11(4-6-12)8-13-2-1-7-15-10-13/h1-7,10H,8H2

Upstream product

• 126747-14-6 4-cyanophenylboronic acid 
• 100-55-0 3-hydroxymethylpyridin 
• 1692-25-7 3-pyridylboronic acid 
• 626-55-1 3-Bromopyridine 
• 874-86-2 4-cyanobenzyl chloride 

Relevant articles and documents

Palladium catalyzed Suzuki cross-coupling of benzyltrimethylammonium salts via C-N bond cleavage

A palladium catalyzed Suzuki cross-coupling for construction of Csp3-Csp2 bond via Csp3-N bond activation of benzyltrimethyl-ammonium salt is described. This reaction not only offered a highly efficient approach to diarylmethanes but also paved the way for the application of benzyltrimethylammonium salts in the palladium catalyzed cross coupling reactions.

Synthesis of heteroaryl compounds through cross-coupling reaction of aryl bromides or benzyl halides with thienyl and pyridyl aluminum reagents

An efficient method for synthesis of useful biaryl building blocks containing 2-thienyl, 3-thienyl, 2-pyridyl, and 3-pyridyl moieties was provided through cross-coupling reactions of aryl bromides or benzyl halides with heteroaryl aluminum reagents in the presence of Pd(OAc)2 and (o-tolyl)3P. The coupling reaction also worked efficiently with heteroaryl bromides affording series of heterobiaryl compounds. The reaction of phenylbromide with in situ prepared 3-pyridyl aluminum was demonstrated to afford the product 8a in high yield. Additionally, the catalytic system was also suited well for the coupling reaction of benzyl halides with pyridyl aluminum reagents to afford series of pyridyl-arylmethane.

ALPHA-HETEROCYCLC SUBSTITUTED TOLUNITRILES

The invention is concerned with aromatase inhibiting compounds of formula I wherein R and Ro represent hydrogen or lower alkyl; or R and Ro located on adjacent carbon atoms and together when combined with the benzene ring to which they are attached form a naphthalene or tetrahydronaphthalene ring; R1 and R2 independently represent hydrogen, lower alkyl, (lower alkyl, aryl or aryl-lower alkyl)-thio, lower alkenyl, aryl, aryl-lower alkyl, C3-C6-cycloalkyl, or C3-C6-cycloalkyl-lower alkyl; or R1 and R2 combined represent lower alkylidene, mono or di-aryl-lower alkylidene; R1 and R2 combined also represent C4-C6-straight chain alkylene, lower alkyl-substituted straight chain alkylene or ortho-phenylene bridged-C2-C4 -straight chain alkylene, each forming with the carbon atom attached thereto a corresponding optionally substituted or benzo-fused 5, 6 or 7-membered ring; W represents 1-imidazolyl, 1-(1,2,4- or 1,3,4)-triazolyl or 3-pyridyl; or W represents 1-imidazolyl, 1-(1,2,4 or 1,3,4)-triazolyl or 3-pyridyl substituted by lower alkyl; and pharmaceutically acceptable salts thereof