4-Methyl Thio Benzyl Cyanide

Base Information

• Chemical Name: 4-Methyl Thio Benzyl Cyanide
• CAS No.: 18991-39-4
• Molecular Formula: C9H9 N S
• Molecular Weight: 163.243
• Hs Code.: 2930909090
• Mol file: 18991-39-4.mol

Synonyms:Thiocyanicacid, p-methylbenzyl ester (8CI); 4-Methylbenzyl thiocyanate; p-Methylbenzylthiocyanate

Chemical Property of 4-Methyl Thio Benzyl Cyanide

Chemical Property:

• Vapor Pressure: 0.00508mmHg at 25°C
• Refractive Index: 1.579
• Boiling Point: 275.5 °C at 760 mmHg
• Flash Point: 120.4 °C
• PSA: 49.09000
• Density: 1.119 g/cm³
• LogP: 2.70928

Purity/Quality:

99.0% ^*data from raw suppliers

4-Methylbenzyl thiocyanate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Methyl Thio Benzyl Cyanide

There total 16 articles about 4-Methyl Thio Benzyl 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: 98.0%

para-xylene (106-42-3) + N-selenocyanatosaccharin → p-methylbenzyl thiocyanate (18991-39-4)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); In benzene; at 80 ℃; for 4h;

DOI:10.1039/d1cc04302a

Reference yield: 97.0%

4-Methylbenzyl alcohol (589-18-4) + ammonium thiocyanate (1147550-11-5) → p-methylbenzyl thiocyanate (18991-39-4)

Guidance literature:

With fluorosulfonyl fluoride; sodium carbonate; In ethyl acetate; at 20 ℃; for 5h; Reagent/catalyst; Concentration; Solvent;

DOI:10.1055/s-0040-1707151

Reference yield: 95.0%

2-hydroxy-N,N,N-tributylethanaminium thiocyanate + 4-Methylbenzyl bromide (104-81-4) → p-methylbenzyl thiocyanate (18991-39-4)

Guidance literature:

at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2007.07.222

upstream raw materials:

C₂₆H₂₄NS⁽¹⁺⁾*CNS^(1-)

potassium thioacyanate

4-Methylbenzyl chloride

trimethylsilyl isothiocyanate

Downstream raw materials:

bis-(4-methyl-benzyl)-disulfide

N,N-piperidyl-1-p-tolylmethanamine

piperidine thiocyanate

4-Methylbenzyl chloride

Refernces

• 1、 Kodomari, Mitsuo,Kuzuoka, Tetsuo,Yoshitomi, Suehiko. "A Convenient Synthesis of Alkyl Thiocyanates using Silica Gel Supported Potassium Thiocyanate". . p. 141 - 142. Retrieved 1983.
• 2、 Zhang, Guofu,Xuan, Lidi,Zhao, Yiyong,Ding, Chengrong. "Sulfuryl Fluoride Promoted Thiocyanation of Alcohols: A Practical Method for Preparing Thiocyanates". supporting information. p. 1413 - 1417. Retrieved 2020/10/02.
• 3、 Xu, Lijun,Wang, Hongyu,Zheng, Changwu,Zhao, Gang. "One-pot synthesis of (ethoxycarbonyl)difluoromethylthioethers from thiocyanate sodium and ethyl 2-(trimethylsilyl)-2,2-difluoroacetate (TMS-CF2CO2Et)". . p. 6057 - 6066. Retrieved 2017/09/23.