Benzonitrile, 4-formyl-3-methyl- (9CI)

Base Information

• Chemical Name: Benzonitrile, 4-formyl-3-methyl- (9CI)
• CAS No.: 27609-91-2
• Molecular Formula: C9H7 N O
• Molecular Weight: 145.161
• Hs Code.: 2926909090
• Mol file: 27609-91-2.mol

Synonyms:Terephthalaldehydonitrile,3-methyl- (8CI); 4-Cyano-2-methylbenzaldehyde; 4-Formyl-m-tolunitrile

Chemical Property of Benzonitrile, 4-formyl-3-methyl- (9CI)

Chemical Property:

• Boiling Point: 306.6±30.0 °C(Predicted)
• PSA: 40.86000
• Density: 1.12±0.1 g/cm3(Predicted)
• LogP: 1.67918
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

4-Formyl-3-methylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-Formyl-3-methylbenzonitrile is used in preparation of substituted Aryl Methylene type Rubrolide compounds as agrochemical herbicides.

Technology Process of Benzonitrile, 4-formyl-3-methyl- (9CI)

There total 3 articles about Benzonitrile, 4-formyl-3-methyl- (9CI) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

4-bromo-3-methylbenzonirtile (41963-20-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-formyl-3-methyl-benzonitrile (27609-91-2)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -100 ℃;

DOI:10.1016/S0960-894X(01)00661-8

Reference yield: 45.6%

4-bromo-2-methylbenzaldehyde (24078-12-4) + copper(l) cyanide → 4-formyl-3-methyl-benzonitrile (27609-91-2)

Guidance literature:

at 180 ℃; for 6h;

Reference yield:

4-bromo-3-methylbenzonirtile (41963-20-6) → 4-formyl-3-methyl-benzonitrile (27609-91-2)

Guidance literature:

With n-butyllithium; sodium chloride; In tetrahydrofuran; N-methyl-acetamide; diethyl ether;

upstream raw materials:

4-bromo-3-methylbenzonirtile

N,N-dimethyl-formamide

4-bromo-2-methylbenzaldehyde

Downstream raw materials:

(2S)-N-tert-Butyl-3-[[(4-cyano-2-methylphenyl)methyl]amino]-2-[[[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]-propanamide

4-(2-acetyl-3-oxobut-1-en-1-yl)-3-methylbenzonitrile