102714-71-6

Basic information

• Product Name: 4,5-DIMETHOXY-2-NITROBENZONITRILE
• Synonyms: 4,5-DIMETHOXY-2-NITROBENZONITRILE;6-NITROVERATRONITRILE;AKOS BBS-00002618;1-CYANO-4,5-DIMETHOXY-2-NITROBENZENE;Dimethoxy-2-nitrobenzonitrile;4,5-Dimethoxy-2-nitrobenzonitrile 98%;4,5-Dimethoxy-2-nitrobenzonitrile98%;1-Cyano-4,5-dimethoxy-2-nitrobenzene 6-Nitroveratronitrile
• CAS NO: 102714-71-6
• Molecular Formula: C₉H₈N₂O₄
• Molecular Weight: 208.17
• Product Categories: Aromatic Nitriles;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds
• Mol File: 102714-71-6.mol
• Article Data: 9

Chemical Properties

• Melting Point: 164-168 °C(lit.)
• Boiling Point: 398.6 °C at 760 mmHg
• Flash Point: 194.9 °C
• Appearance: white to light yellow crystal powder
• Density: 1.32 g/cm³
• Vapor Pressure: 1.46E-06mmHg at 25°C
• Refractive Index: 1.551
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 4,5-DIMETHOXY-2-NITROBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4,5-DIMETHOXY-2-NITROBENZONITRILE(102714-71-6)
• EPA Substance Registry System: 4,5-DIMETHOXY-2-NITROBENZONITRILE(102714-71-6)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• RIDADR: UN 3439 6.1/PG III
• WGK Germany: 3
• HazardClass: IRRITANT, IRRITANT-HARMFUL
• PackingGroup: III
• Hazardous Substances Data: 102714-71-6(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powder

InChI:InChI=1/C9H8N2O4/c1-14-8-3-6(5-10)7(11(12)13)4-9(8)15-2/h3-4H,1-2H3

Upstream product

• 2024-83-1 veratronitrile 
• 7697-37-2 nitric acid 
• 4998-07-6 4,5-dimethoxy-2-nitro-benzoic acid 
• 109-77-3 malononitrile 
• 13472-08-7 azobis(2-cyanobutane) 
• 29577-51-3 2-nitro-4,5-dimethoxybenzaldehyde oxime 
• 4421-08-3 3-methoxy-4-hydroxybenzonitrile 
• 29568-78-3 4,5-dimethoxy-2-nitrobenzoyl chloride 
• 4959-60-8 4,5-dimethoxy-2-nitrobenzamide 

Downstream Products

• 13794-72-4 3H-6,7-dimethoxyquinazolin-4-one 
• 184475-35-2 gefitinib 
• 675126-27-9 2-amino-4-methoxy-5-[(3-morpholin-4-yl)propoxy]benzonitrile 
• 675126-26-8 2-nitro-4-methoxy-5-[3-(morpholin-4-yl)propoxy]benzonitrile 
• 228118-56-7 2-(4-chlorophenyl)-6,7-dimethoxyquinazolin-4(3H)-one 
• 371945-74-3 6,7-dimethoxy-2-phenylquinazolin-4(3Η)-one 
• 849675-81-6 5-(4,5-dimethoxy-2-nitro-phenyl)-2H-tetrazole 
• 857534-65-7 2-(4-chloro-benzoylamino)-4,5-dimethoxy-benzonitrile 
• 26961-27-3 2-amino-4,5-dimethoxybenzonitrile 

Relevant articles and documents

Ag/Cu-mediated decarboxylative cyanation of aryl carboxylic acids with K4Fe(CN)6 under aerobic conditions

A method for facile synthesis of aryl nitriles has been well established via Ag/Cu-mediated decarboxylative cyanation of benzoic acids with K4Fe(CN)6 under aerobic conditions. The approach of using readily accessible aryl carboxylic acids and green K4Fe(CN)6 as starting material provides a feasible alternative to previous cyanation protocols. Control experiments revealed the key role of Cu for the process and excluded the possibility of a radical mechanism for the transformation.

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

Method for synthesizing aryl cyanide by taking aryl carboxylic acid as raw material

The invention discloses a method for synthesizing aryl cyanide by taking aryl carboxylic acid as a raw material, which is characterized in that aryl cyanide is synthesized by taking aryl carboxylic acid as a raw material, taking a combination of NH4X and N, N-dimethylformamide as a cyanide source and taking silver sulfate and copper acetate as catalysts under the action of acid and oxygen. Compared with a conventional aryl cyanide synthesis method, the method disclosed by the invention has the advantages that reaction raw materials (aryl carboxylic acid, NH4X and N, N-dimethylformamide) are cheap and easy to obtain, and the dosage of a metal catalyst is small; meanwhile, oxygen is used as an oxidizing agent, so that the method has the obvious advantages of small environmental pollution, good tolerance to various functional groups on an aromatic ring, high yield and the like; the method disclosed by the invention can be widely applied to synthesis of medicines, functional materials, natural products and other fields in the industry and academic circles.