S-(4-Methylphenyl) ethanethioate

Base Information

• Chemical Name: S-(4-Methylphenyl) ethanethioate
• CAS No.: 10436-83-6
• Molecular Formula: C9H10 O S
• Molecular Weight: 166.244
• European Community (EC) Number: 233-921-3
• DSSTox Substance ID: DTXSID10146403
• Nikkaji Number: J212.395I
• Wikidata: Q83011209
• Mol file: 10436-83-6.mol

Synonyms:S-(4-Methylphenyl) ethanethioate;10436-83-6;EINECS 233-921-3;S-(P-TOLYL) THIOACETATE;S-p-Tolyl thioacetate;p-Thiocresol, S-acetyl-;SCHEMBL7518002;S-(4-methylphenyl) thioacetate;Thioacetic acid S-p-tolyl ester;DTXSID10146403;ethanethioic acid S-(p-tolyl) ester;AKOS024338867;Thioacetic acid S-(4-methylphenyl) ester;Ethanethioic acid, S-(4-methylphenyl) ester

Chemical Property of S-(4-Methylphenyl) ethanethioate

Chemical Property:

• Vapor Pressure: 0.0158mmHg at 25°C
• Boiling Point: 256°C at 760 mmHg
• Flash Point: 105.1°C
• Density: 1.1g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 166.04523611
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

98%,99%, ^*data from raw suppliers

S-(P-TOLYL) THIOACETATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC(=O)C

Technology Process of S-(4-Methylphenyl) ethanethioate

There total 26 articles about S-(4-Methylphenyl) ethanethioate 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%

acetic anhydride (108-24-7) + para-thiocresol (106-45-6) → S-(4-methylphenyl) ethanethioate (10436-83-6)

Guidance literature:

With bismuth oxide perchlorate; at 20 ℃; for 0.5h;

DOI:10.1055/s-2003-41442

Reference yield: 95.0%

para-thiocresol (106-45-6) + (1-Acetyl-4-dimethylaminopyridinium)-dimesylaminid → S-(4-methylphenyl) ethanethioate (10436-83-6) + (4-Dimethylaminopyridinium)-dimesylaminid

Guidance literature:

In diethyl ether; 1.) 7 h, reflux, 2.) 10 h, 20 deg C;

Reference yield: 93.0%

tert-butyl 4-methylphenyl sulfide (7439-10-3) + acetyl chloride (75-36-5) → S-(4-methylphenyl) ethanethioate (10436-83-6)

Guidance literature:

With boron tribromide; In dichloromethane; toluene; at 20 ℃; for 2h;

DOI:10.1081/SCC-120015820

upstream raw materials:

acetyl chloride

para-thiocresol

di(p-tolyl) disulfide

acetic acid

Downstream raw materials:

acetic acid

para-thiocresol

1,1',1''-[ethylidynetris(thio)]tris[4-methyl-benzene]

4-methylphenyl dithioacetate

Refernces

• 1、 B?uerlein,Wieland. "Model experimenton oxidative phosphorylation. XI. Tocopherol and S-acetyl-para-thiocresol as gens in the oxidative phosphorylation of adenosine diphosphate". . p. 1299 - 1303. Retrieved 1969.
• 2、 Adam, Waldemar,Sampath Kumar,Saha-Moeller, Chantu R.. "Photooxygenation of vinyl sulfides: Substituent effects on the [2+2] cycloaddition versus Schenck ene reaction modes". . p. 7853 - 7854. Retrieved 1995.
• 3、 Bhat, Sujata V.,Gupta, Manisha O.,Yadav, Jyoti K.,Vaze, Kedar R.. "Solvent-free Acetylation Procedure". . p. 590 - 594. Retrieved 2021/10/07.
• 4、 Bandini, Marco,Bertuzzi, Giulio,Gazzano, Massimo,Kovtun, Alessandro,Lombardi, Lorenzo,Mazzaro, Raffaello,Morandi, Vittorio. "NiNP@rGO Nanocomposites as Heterogeneous Catalysts for Thiocarboxylation Cross-Coupling Reactions". . . Retrieved 2021/12/17.