38469-84-0

Basic information

• Product Name: 5-METHOXY-2-NITROBENZONITRILE
• Synonyms: 5-METHOXY-2-NITROBENZONITRILE;3-Cyano-4-nitroanisole, 2-Cyano-4-methoxynitrobenzene;3-Cyano-4-nitroanisole
• CAS NO: 38469-84-0
• Molecular Formula: C₈H₆N₂O₃
• Molecular Weight: 178.15
• Mol File: 38469-84-0.mol
• Article Data: 10

Chemical Properties

• Melting Point: 96 °C
• Boiling Point: 352.2 °C at 760 mmHg
• Flash Point: 166.8 °C
• Appearance: /
• Density: 1.32 g/cm³
• Vapor Pressure: 3.9E-05mmHg at 25°C
• Refractive Index: 1.563
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 5-METHOXY-2-NITROBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-METHOXY-2-NITROBENZONITRILE(38469-84-0)
• EPA Substance Registry System: 5-METHOXY-2-NITROBENZONITRILE(38469-84-0)

Safety Data

• Hazardous Substances Data: 38469-84-0(Hazardous Substances Data)

Usage

General Description

5-Methoxy-2-nitrobenzonitrile is a specialized chemical compound, characterized by its molecular structure which incorporates methoxy, nitro and benzonitrile groups. Methoxy refers to the functional group O-CH3 , a nitro group is a functional group that consists of two atoms of oxygen and one atom of nitrogen (-NO2), and benzonitrile is a nitrile group (-C≡N) attached to a phenyl group. Its systematic name is 2-Nitro-5-methoxybenzonitrile. It is primarily utilized in the field of organic synthesis, serving as an important intermediate for the manufacturing of various chemical products. 5-METHOXY-2-NITROBENZONITRILE falls under the class of organic compounds known as nitrobenzenes which are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a nitro group (-NO2) attached to it. This chemical should be handled with adequate safety measures due to its potential for creating harmful effects if improperly handled.

InChI:InChI=1/C8H6N2O3/c1-13-7-2-3-8(10(11)12)6(4-7)5-9/h2-4H,1H3

Upstream product

• 13472-08-7 azobis(2-cyanobutane) 
• 1882-69-5 5-methoxy-2-nitro-benzoic acid 
• 109-77-3 malononitrile 
• 41994-92-7 2-nitro-5-methoxybenzamide 
• 67-56-1 methanol 
• 50594-78-0 5-fluoro-2-nitrobenzonitrile 
• 42454-06-8 2-nitro-5-hydroxybenzaldehyde 
• 20357-24-8 5-methoxy-2-nitro-benzaldehyde 

Downstream Products

• 39495-44-8 5-Methoxy-2-nitrosobenzonitril 
• 108047-38-7 2-(aminomethyl)-4-methoxyaniline 
• 23842-82-2 2-amino-5-methoxybenzonitrile 
• 1882-71-9 2-amino-5-methoxybenzamide 

Relevant articles and documents

Copper-Catalyzed One-Pot Synthesis of Quinazolinones from 2-Nitrobenzaldehydes with Aldehydes: Application toward the Synthesis of Natural Products

A novel, efficient, and atom-economical approach for the construction of quinazolinones from 2-nitrobenzaldehydes has been unveiled via copper-catalyzed nitrile formation, hydrolysis, and reduction in one pot for the first time. In this reaction, urea is used as a source of nitrogen for nitrile formation, hydrazine hydrate is used for both the reduction of the nitro group and the hydrolysis of nitrile, and atmospheric oxygen is used as the sole oxidant. The method portrays a wide substrate scope with good functional group tolerances. Moreover, this method was applied for the synthesis of schizocommunin, tryptanthrin, phaitanthrin-A, phaitanthrin-B, and 8H-quinazolino[4,3-b]quinazolin-8-one.

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.

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.