1885-76-3

Basic information

• Product Name: 2-METHYL-6-NITROBENZONITRILE
• Synonyms: 2-METHYL-6-NITROBENZONITRILE;6-NITRO-O-TOLUNITRILE;6-nitro-2-toluonitrile;2-methyl-6-nitro-benzenecarbonitrile;2-methyl-6-nitrobenzonitrile(SALTDATA: FREE);2-Methyl-6-nitrobenzonitrile 98%
• CAS NO: 1885-76-3
• Molecular Formula: C₈H₆N₂O₂
• Molecular Weight: 162.15
• EINECS: 217-553-0
• Mol File: 1885-76-3.mol
• Article Data: 10

Chemical Properties

• Melting Point: 108-110 °C(lit.)
• Boiling Point: 326.2 °C at 760 mmHg
• Flash Point: 151.1 °C
• Appearance: /
• Density: 1.26 g/cm³
• Vapor Pressure: 0.000219mmHg at 25°C
• Refractive Index: 1.568
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 2-METHYL-6-NITROBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYL-6-NITROBENZONITRILE(1885-76-3)
• EPA Substance Registry System: 2-METHYL-6-NITROBENZONITRILE(1885-76-3)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 1885-76-3(Hazardous Substances Data)

Usage

Description

2-METHYL-6-NITROBENZONITRILE is an organic compound with the molecular formula C8H6N2O2. It is a yellow crystalline solid and is commonly utilized as a synthetic intermediate in the production of various chemical compounds and pharmaceuticals. Its chemical structure features a nitro group (-NO2) at the 6th position and a methyl group (-CH3) at the 2nd position on a benzene ring, with a nitrile group (-CN) attached.

Uses

Used in Pharmaceutical Synthesis:
2-METHYL-6-NITROBENZONITRILE is used as a synthetic intermediate for the production of 5-arylthiomethyl-2,4-diaminoquinazolines. These quinazoline derivatives exhibit a range of biological activities, including anti-cancer, anti-bacterial, and anti-viral properties, making them valuable in the development of new pharmaceuticals.
Used in Microwave-Assisted Synthesis:
In the field of organic chemistry, 2-METHYL-6-NITROBENZONITRILE serves as a starting reagent in the microwave-assisted synthesis of 8-amino-2-methyl-3,4-dihydroisoquinolin-1-one. This synthetic method allows for faster reaction times and improved yields compared to conventional heating techniques, making it a preferred approach for the synthesis of complex organic molecules.
Used in Chemical Research:
2-METHYL-6-NITROBENZONITRILE is also employed in academic and industrial research settings for the development of new chemical reactions and the exploration of novel synthetic pathways. Its unique chemical structure makes it a versatile building block for the creation of various organic compounds with potential applications in materials science, pharmaceuticals, and other industries.

InChI:InChI=1/C8H6N2O2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,1H3

Upstream product

• 570-24-1 2-Methyl-6-nitroaniline 
• 151-50-8 potassium cyanide 
• 544-92-3 copper(I) cyanide 
• 557-21-1 dicyanozinc 
• 3970-40-9 2-chloro-3-nitrotoluene 
• 544-16-1 n-Butyl nitrite 
• 83-41-0 2,3-dimethylnitrobenzene 
• 7758-89-6 copper(I) chloride 
• 13506-76-8 2-methyl-6-nitrobenzoic acid 
• 109-77-3 malononitrile 
• 13472-08-7 azobis(2-cyanobutane) 

Downstream Products

• 56043-01-7 2-amino-6-methylbenzonitrile 
• 40637-78-3 2-methyl-6-nitro-benzoic acid amide 
• 13506-76-8 2-methyl-6-nitrobenzoic acid 
• 939970-58-8 2-benzylsulfanyl-6-methylbenzonitrile 
• 50828-01-8 6-(bromomethyl)-2-nitrobenzenecarbonitrile 
• 943346-06-3 2-(2-dimethylaminoethyl)-6-nitrobenzonitrile 
• 878155-22-7 8-amino-2-methyl-3,4-dihydroisoquinolin-1-one 
• 858004-66-7 2-mercapto-6-methylbenzonitrile 
• 212369-54-5 4-(3-Amino-2-cyano-phenyl)-butyric acid methyl ester 
• 212369-51-2 2-Dibenzylamino-6-methyl-benzonitrile 
• 212369-52-3 4-(2-Cyano-3-dibenzylamino-phenyl)-butyric acid methyl ester 
• 77326-29-5 N-(2-Cyano-3-methyl-phenyl)-oxalamic acid ethyl ester 
• 27018-14-0 2,4-diamino-5-methylquinazoline 
• 6575-09-3 2-chloro-6-methyl-benzonitrile 

Relevant articles and documents

Conversions of aryl carboxylic acids into aryl nitriles using multiple types of Cu-mediated decarboxylative cyanation under aerobic conditions

Here, we used malononitrile or AMBN as a cyanating agent to develop efficient and practical protocols for Cu-mediated decarboxylative cyanations, under aerobic conditions, of aryl carboxylic acids bearing nitro and methoxyl substituents at the ortho position as well as of heteroaromatic carboxylic acids. These protocols involved economical methods to synthesize value-added aryl nitriles from simple and inexpensive raw materials. Further diversification of the 2-nitrobenzonitrile product was performed to highlight the practicality of the protocols. This journal is

Decarboxylative Halogenation and Cyanation of Electron-Deficient Aryl Carboxylic Acids via Cu Mediator as Well as Electron-Rich Ones through Pd Catalyst under Aerobic Conditions

Simple strategies for decarboxylative functionalizations of electron-deficient benzoic acids via using Cu(I) as promoter and electron-rich ones by employing Pd(II) as catalyst under aerobic conditions have been established, which lead to smooth synthesis of aryl halides (-I, Br, and Cl) through the decarboxylative functionalization of benzoic acids with readily available halogen sources CuX (X = I, Br, Cl), and easy preparation of benzonitriles from decarboxylative cyanation of aryl carboxylic acids with nontoxic and low-cost K4Fe(CN)6 under an oxygen atmosphere for the first time.

Benzimidazole derivative

The present invention is a thiobenzimidazole derivative represented by the following formula (1) or a medically acceptable salt thereof wherein said thiobenzimidazole derivative and a medically acceptable salt thereof have a potent activity of inhibiting human chymase. Thus, they are potential preventive and/or therapeutic agents clinically applicable to various diseases in which human chymase is involved.