S-4-Chlorophenylthioacetate

Base Information

• Chemical Name: S-4-Chlorophenylthioacetate
• CAS No.: 21021-60-3
• Molecular Formula: C8H7ClOS
• Molecular Weight: 186.662
• DSSTox Substance ID: DTXSID401259911
• Nikkaji Number: J465.794B
• Mol file: 21021-60-3.mol

Synonyms:S-4-Chlorophenylthioacetate;21021-60-3;S-(4-chlorophenyl) ethanethioate;S-(4-Chlorophenyl) thioacetate;SCHEMBL1157660;DTXSID401259911;Ethanethioic acid, S-(4-chlorophenyl) ester;Acetic acid, thio-, S-(p-chlorophenyl) ester

Chemical Property of S-4-Chlorophenylthioacetate

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 185.9906137
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)SC1=CC=C(C=C1)Cl

Technology Process of S-4-Chlorophenylthioacetate

There total 17 articles about S-4-Chlorophenylthioacetate 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%

acetic anhydride (108-24-7) + p-Chlorothiophenol (106-54-7) → S-acetyl-4-chlorothiophenol (21021-60-3)

Guidance literature:

With 2,3-dihydro-5,7-bismethyl-1,4-diazepine monohydroperchlorate; In neat (no solvent); at 40 ℃; for 1.5h;

DOI:10.1039/c6ra28882k

Reference yield: 98.0%

4,4'-dichlorodiphenyl disulfide (1142-19-4) + acetic anhydride (108-24-7) → S-acetyl-4-chlorothiophenol (21021-60-3)

Guidance literature:

With rongalite; cesium fluoride; In water; N,N-dimethyl-formamide; at 20 ℃; for 0.0833333h;

DOI:10.1016/j.tet.2010.07.023

Reference yield: 93.0%

trimethylsilyl acetate (2754-27-0) + (4-chlorophenylthio)trimethylsilane (30718-19-5) → S-acetyl-4-chlorothiophenol (21021-60-3)

Guidance literature:

With 4-(trifluoromethyl)benzoic anhydride; silver trifluoromethanesulfonate; titanium tetrachloride; In dichloromethane; for 6h; Ambient temperature;

DOI:10.1246/cl.1992.1747

upstream raw materials:

acetic anhydride

p-Chlorothiophenol

acetyl chloride

trimethylsilyl acetate

Downstream raw materials:

4-chlorophenyl dithioacetate

4-chlorobenzenesulfonyl chloride

C₁₈H₁₀Cl₂F₂S₂

C₁₂H₇ClF₂S

Refernces

• 1、 Mukaiyama,Katsuyama. "". . p. 2703. Retrieved 1968.
• 2、 Singh, Pallavi,Peddinti, Rama Krishna. "Methanesulfonic anhydride-promoted sustainable synthesis of thioesters from feedstock acids and thiols". . . Retrieved 2021/02/22.
• 3、 Jain, Isha,Sharma, Ramandeep,Malik, Payal. "Manganese-mediated acetylation of alcohols, phenols, thiols, and amines utilizing acetic anhydride". supporting information. p. 2952 - 2960. Retrieved 2019/09/13.