64829-31-8

Basic information

• Product Name: 3-METHOXY-4-METHYLPHENYLACETONITRILE
• Synonyms: 3-METHOXY-4-METHYLPHENYLACETONITRILE;Nsc148961;2-(3-Methoxy-4-Methylphenyl)acetonitrile;3-Methoxy-4-Methylbenzyl cyanide;Benzeneacetonitrile, 3-Methoxy-4-Methyl-;5-Methoxy-4-Methylphenylacetonitrile
• CAS NO: 64829-31-8
• Molecular Formula: C₁₀H₁₁NO
• Molecular Weight: 161.2
• Mol File: 64829-31-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 176°C 25mm
• Flash Point: 116.6±17.0℃
• Appearance: /
• Density: 1,07 g/cm3
• Vapor Pressure: 0.00448mmHg at 25°C
• Refractive Index: 1.517
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3-METHOXY-4-METHYLPHENYLACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHOXY-4-METHYLPHENYLACETONITRILE(64829-31-8)
• EPA Substance Registry System: 3-METHOXY-4-METHYLPHENYLACETONITRILE(64829-31-8)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 26-36/37/39
• RIDADR: 3276
• HazardClass: IRRITANT, IRRITANT-HARMFUL
• Hazardous Substances Data: 64829-31-8(Hazardous Substances Data)

Usage

General Description

3-Methoxy-4-methylphenylacetonitrile is a white crystalline solid with the molecular formula C10H11NO. It is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. This chemical is known for its role as a versatile building block in organic synthesis, particularly in the production of various chemical products. Its nitrile group makes it a useful starting material for the preparation of carboxylic acids, amines, and other types of nitrogen-containing compounds. Additionally, it is important to handle this chemical with care as it can be harmful if ingested, inhaled, or absorbed through the skin, and appropriate safety precautions should be taken when working with it.

InChI:InChI=1/C10H11NO/c1-8-3-4-9(5-6-11)7-10(8)12-2/h3-4,7H,5H2,1-2H3

Upstream product

• 4685-50-1 3-methoxy-4-methylbenzyl alcohol 
• 143-33-9 sodium cyanide 
• 4685-51-2 4-(chloromethyl)-2-methoxy-1-methylbenzene 
• 57295-30-4 3-hydroxy-4-methylbenzaldehyde 
• 24973-22-6 3-methoxy-4-methylbenzaldehyde 
• 586-30-1 3-hydroxy-4-methylbenzoic acid 
• 7151-68-0 3-methoxy-p-toluic acid 

Downstream Products

• 57335-02-1 2-bromo-5-methoxy-4-methylphenylacetonitrile 
• 64829-32-9 1-Cyano-1-(3-methoxy-4-methylphenyl)-aceton 
• 100861-38-9 (3-methoxy-4-methylphenyl)acetic acid 
• 75097-32-4 2-bromo-5-methoxy-4-methylphenylacetic acid 
• 75156-81-9 methyl α-bromo-(2-bromo-5-methoxy-4-methylphenyl)acetate 
• 75156-82-0 methyl α-bromo-(2-bromo-5-methoxy-4-methoxymethylphenyl)acetate 
• 75156-86-4 methyl α-<3-acetoxy-4-(N-ethoxycarbonyl-N-methylamino)-pyrrolidin-2-ylidene>-α-(2-bromo-5-methoxy-4-methoxymethylphenyl)-acetate 
• 51814-28-9 1-(3-methoxy-4-methylphenyl)-2-propanone 
• 24160-29-0 1-(3-methoxy-4-methyl-phenyl)propan-2-amine 
• 103264-70-6 2-(3-hydroxy-4-methylphenyl)acetonitrile 
• 18149-16-1 1′-(3-methoxy-4-methylphenyl)ethyl-2′-amine 
• 765302-48-5 ethyl 2-(3-hydroxy-4-methylphenyl)acetate 
• 765302-47-4 ethyl 2-(3-methoxy-4-methylphenyl)acetate 
• 1292687-92-3 2-(3-(3-hydroxy-2,6-dimethylbenzyloxy)-4-methylphenyl)acetic acid 

Relevant articles and documents

Studies on the Synthesis of Heterocyclic Compounds. Part 832. A Simple and Efficient Synthesis of Apomitomycin Derivatives; a Potential Intermediate for Mitomycin Synthesis

Condensation of pyrrolidine-2-thione (21) with methyl α-bromo-(2-bromo-4,5-dimethoxyphenyl)acetate (15) gave methyl (Z)-α-(2-bromo-4,5-dimethoxyphenyl)-α-pyrrolidin-2-ylideneacetate (25) in high yield.Several other methyl (Z)-α-aryl-α-acetates (26)-(31) were also synthesised in good yields from reaction of the corresponding phenylacetates (15), (12), and (13) with trans-3-acetoxy-4-(N-ethoxycarbonyl-N-methylamino)pyrrolidine-2-thione (20).Treatment of compounds (25)-(31) with sodium hydride and copper(I) bromide in dimethylformamide afforded methyl 2,3-dihydro-6,7-dimethoxy-1H-pyrroloindole-9-carboxylate (34) and the methyl (+/-)-trans-1-acetoxy-2-(N-ethoxycarbonyl-N-methylamino)-2,3-dihydro-1H-pyrroloindole-9-carboxylates (35)-(37) in good yields.Methyl (+/-)-trans-1-acethoxy-2-(N-ethoxycarbonyl-N-methylamino)-2,3-dihydro-7-methoxy-6-methyl-1H-pyrroloindole-9-carboxylate (36) was converted into the 5,8-quinone (3), via the 8-nitro-compound (38).