4-Cyanophenyl-4'-Methylbenzoate

Base Information

• Chemical Name: 4-Cyanophenyl-4'-Methylbenzoate
• CAS No.: 32792-42-0
• Molecular Formula: C15H11NO2
• Molecular Weight: 237.258
• Hs Code.: 2926909090
• Mol file: 32792-42-0.mol

Synonyms:p-Toluicacid, ester with p-hydroxybenzonitrile (8CI);4-Cyanophenyl 4-methylbenzoate;

Chemical Property of 4-Cyanophenyl-4'-Methylbenzoate

Chemical Property:

• Vapor Pressure: 5.66E-07mmHg at 25°C
• Melting Point: 142-143 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
• Refractive Index: 1.601
• Boiling Point: 411.3 °C at 760 mmHg
• Flash Point: 201.5 °C
• PSA: 50.09000
• Density: 1.21 g/cm³
• LogP: 3.08588
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

4-Cyanophenyl4-methylbenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Intermediates of Liquid Crystals

Technology Process of 4-Cyanophenyl-4'-Methylbenzoate

There total 4 articles about 4-Cyanophenyl-4'-Methylbenzoate 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: 71.0%

4-bromobenzenecarbonitrile (623-00-7) + p-Toluic acid (99-94-5) → 4-cyanophenyl 4-methylbenzoate (32792-42-0)

Guidance literature:

With potassium phosphate; 1-(2,2-diphenyl-2λ⁴,3λ⁴-[1,3,2]diazaborolo[4,5,1-ij]quinolin-1(2H)-yl)-3-phenylpropan-1-one; 4,4'-di-tert-butyl-2,2'-bipyridine; nickel dibromide; In dimethyl sulfoxide; at 25 ℃; for 22h; Irradiation;

DOI:10.1039/d0cc03230a

Reference yield: 69.0%

4-cyanophenol (767-00-0) + p-Toluic acid (99-94-5) → 4-cyanophenyl 4-methylbenzoate (32792-42-0)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; for 16h; Heating;

DOI:10.1016/j.tetlet.2007.03.095

Reference yield: 26.0%

4-methyl(thiobenzoic) acid S-(4-chlorophenyl) ester (39248-93-6) + 4-methoxybenzonitrile (874-90-8) → 4-chlorophenyl methyl sulfide (123-09-1) + 4-cyanophenyl 4-methylbenzoate (32792-42-0)

Guidance literature:

With carbonylhydridetris(triphenylphosphine)rhodium(I); 1,2-bis-(diphenylphosphino)ethane; In chlorobenzene; Inert atmosphere;

DOI:10.1021/ol2033724

upstream raw materials:

4-cyanophenol

4-methyl-benzoyl chloride

p-Toluic acid

4-methyl(thiobenzoic) acid S-(4-chlorophenyl) ester

Refernces

• 1、 Furkert, Daniel P.,Breitenbach, Benjamin,Juen, Ludovic,Sroka, Ina,Pantin, Mathilde,Brimble, Margaret A.. "Nonsymmetrical azocarbonamide carboxylates as effective Mitsunobu reagents". supporting information. p. 7806 - 7809. Retrieved 2015/02/02.
• 2、 Fitzjarrald, Victor P.,Pongdee, Rongson. "A convenient procedure for the esterification of benzoic acids with phenols: a new application for the Mitsunobu reaction". . p. 3553 - 3557. Retrieved 2008/02/06.