26961-27-3

Basic information

• Product Name: 2-Amino-4,5-dimethoxybenzonitrile
• Synonyms: 2-Cyano-4,5-dimethoxyaniline, 4,5-Dimethoxyanthranilonitrile, 6-Aminoveratronitrile;LABOTEST-BB LT00080710;6-AMINOVERATRONITRILE;2-AMINO-4,5-DIMETHOXYBENZONITRILE;TIMTEC-BB SBB002931;2-AMINO-4 5-DIMETHOXYBENZONITRILE 96%;2-cyano-4,5-dimethoxyaniline;4-amino-5-cyanoveratrole
• CAS NO: 26961-27-3
• Molecular Formula: C₉H₁₀N₂O₂
• Molecular Weight: 178.19
• Mol File: 26961-27-3.mol
• Article Data: 4

Chemical Properties

• Melting Point: 96-101 °C(lit.)
• Boiling Point: 346.6 °C at 760 mmHg
• Flash Point: 163.4 °C
• Appearance: /
• Density: 1.2 g/cm³
• Vapor Pressure: 5.7E-05mmHg at 25°C
• Refractive Index: 1.555
• Storage Temp.: 2-8°C
• PKA: 1.99±0.10(Predicted)
• BRN: 2372149
• CAS DataBase Reference: 2-Amino-4,5-dimethoxybenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Amino-4,5-dimethoxybenzonitrile(26961-27-3)
• EPA Substance Registry System: 2-Amino-4,5-dimethoxybenzonitrile(26961-27-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• RIDADR: 3276
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 26961-27-3(Hazardous Substances Data)

Usage

General Description

2-Amino-4,5-dimethoxybenzonitrile is an organic compound with the chemical formula C9H10N2O2. It is a nitrile derivative that contains amino and methoxy functional groups attached to a benzene ring. This chemical is often used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It may also have potential applications in the field of organic electronics and materials science. However, it is important to handle and use 2-Amino-4,5-dimethoxybenzonitrile with care, as it may be harmful if ingested, inhaled, or exposed to the skin or eyes. Proper safety precautions and handling procedures should be followed when working with this chemical.

InChI:InChI=1/C9H10N2O2/c1-12-8-3-6(5-10)7(11)4-9(8)13-2/h3-4H,11H2,1-2H3

Upstream product

• 2024-83-1 veratronitrile 
• 603-35-0 triphenylphosphine 
• 169778-81-8 2-(cyanothioformamido)-4,5-dimethoxybenzonitrile 
• 102714-71-6 4,5-dimethoxy-2-nitrobenzonitrile 

Downstream Products

• 857534-65-7 2-(4-chloro-benzoylamino)-4,5-dimethoxy-benzonitrile 
• 28888-44-0 2,4-dihydroxy-6,7-dimethoxyquinazoline 
• 28888-44-0 6,7-dimethoxy-1H-quinazoline-2,4-dione 
• 90402-39-4 4-amino-6,7-dimethoxy-2-(4-benzylpiperazin-1-yl)quinoline dihydrochloride sesquihydrate 
• 438249-39-9 4-(2-Cyano-4,5-dimethoxyanilino)-2-(3-pyridinyl)-6-trifluoromethylpyrimidine 
• 220270-06-4 (2-cyano-4,5-methoxy-phenyl)-carbamic acid ethyl ester 
• 157459-53-5 3,4-dimethoxy-6-cyanoaniline-1-yl formamide 
• 606145-74-8 N-(2-cyano-4,5-dimethoxyphenyl)benzonitrile 

Relevant articles and documents

Identification of 2,4-diamino-6,7-dimethoxyquinoline derivatives as G9a inhibitors

G9a is a histone lysine methyltransferase (HKMT) involved in epigenetic regulation via the installation of histone methylation marks. 6,7-Dimethoxyquinazoline analogues, such as BIX-01294, are established as potent, substrate competitive inhibitors of G9a. With an objective to identify novel chemotypes for substrate competitive inhibitors of G9a, we have designed and synthesised a range of heterocyclic scaffolds, and investigated their ability to inhibit G9a. These studies have led to improved understanding of the key pharmacophoric features of BIX-01294 and the identification of a new core quinoline inhibitory scaffold, which retains excellent potency and high selectivity. Molecular docking was carried out to explain the observed in vitro data. This journal is

The conversion of 2-(4-chloro-5H-1,2,3-dithiazolylideneamino)benzonitriles into 3-aminoindole-2-carbonitriles using triphenylphosphine

2-(4-Chloro-5H-1,2,3-dithiazolylideneamino)benzonitrile 1a reacts with triphenylphosphine (4 equiv) in the presence of water (2 equiv) to afford anthranilonitrile 2a, 3-aminoindole-2-carbonitrile 3a and (2-cyanoindol-3-yl)iminotriphenylphosphorane 4a, tog