4-METHYLBENZOYL CYANIDE

Base Information

• Chemical Name: 4-METHYLBENZOYL CYANIDE
• CAS No.: 14271-73-9
• Molecular Formula: C9H7 N O
• Molecular Weight: 145.161
• Hs Code.: 2926909090
• Mol file: 14271-73-9.mol

Synonyms:Glyoxylonitrile,p-tolyl- (6CI,7CI,8CI); 4-Methylbenzoyl cyanide; p-Methylbenzoyl cyanide;p-Toluoyl cyanide

Chemical Property of 4-METHYLBENZOYL CYANIDE

Chemical Property:

• Melting Point: 50-51 °C
• Boiling Point: 222-224 °C
• PSA: 40.86000
• Density: 1.111±0.06 g/cm3(Predicted)
• LogP: 1.70128

Purity/Quality:

98% ^*data from raw suppliers

4-MethylbenzoylCyanide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-Methylbenzoyl cyanide is used as a reactant in the synthesis of a muscarinic acetylcholine receptor (mAChR) modulator.

Technology Process of 4-METHYLBENZOYL CYANIDE

There total 38 articles about 4-METHYLBENZOYL CYANIDE 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: 99.0%

2-hydroxy-2-(4-methylphenyl)acetonitrile (4815-10-5) → 4-methylbenzoyl cyanide (14271-73-9)

Guidance literature:

With tert.-butylhydroperoxide; tris(triphenylphosphine)ruthenium(II) chloride; In benzene; for 3h; Ambient temperature;

DOI:10.1016/S0040-4039(00)61966-4

Reference yield: 95.0%

potassium cyanide (151-50-8) + 4-methyl-benzoyl chloride (874-60-2) → 4-methylbenzoyl cyanide (14271-73-9)

Guidance literature:

With AMBERLITE XAD-4; In water; benzene; at 30 ℃; for 3h;

DOI:10.1246/bcsj.60.1085

Reference yield: 94.0%

trimethylsilyl cyanide (7677-24-9) + 4-methyl-benzoyl chloride (874-60-2) → 4-methylbenzoyl cyanide (14271-73-9)

Guidance literature:

tin(IV) chloride; In dichloromethane; for 2h;

DOI:10.1055/s-1983-30453

upstream raw materials:

para-chlorotoluene

acetic anhydride

ethanedinitrile

toluene

Downstream raw materials:

2-ethoxy-3-ethyl-2,4-dioxo-5-p-tolyl-2λ⁵-[1,3,2]oxazaphospholidine-5-carbonitrile

4-amino-2-p-methoxyphenyl-5-p-tolyloxazole

potassium cyanide

1-(4-Methylphenyl)-3-buten-1-one

Refernces

• 1、 Taylor et al.. "-". . p. 2280. Retrieved 1978.
• 2、 -. "Novel synthesis method of alpha-carbonyl acid ester". Paragraph 0016; 0056; 0059. . Retrieved 2020/07/21.
• 3、 Kim, Kicheol,Moeljadi, Adhitya Mangala Putra,Hirao, Hajime,Hong, Soon Hyeok. "Acceptorless and Base-free Dehydrogenation of Cyanohydrin with (η6-Arene)halide(Bidentate Phosphine)ruthenium(II) Complex". . p. 3292 - 3298. Retrieved 2017/09/06.