S-(4-Chlorophenyl) 2-methylpropanethioate

Base Information

• Chemical Name: S-(4-Chlorophenyl) 2-methylpropanethioate
• CAS No.: 56421-91-1
• Molecular Formula: C10H11ClOS
• Molecular Weight: 214.716
• DSSTox Substance ID: DTXSID601271165
• Mol file: 56421-91-1.mol

Synonyms:S-(4-Chlorophenyl) 2-methylpropanethioate;DTXSID601271165;56421-91-1

Chemical Property of S-(4-Chlorophenyl) 2-methylpropanethioate

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.0219138
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of S-(4-Chlorophenyl) 2-methylpropanethioate

There total 4 articles about S-(4-Chlorophenyl) 2-methylpropanethioate 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: 94.0%

trimethylsilyl isobutyrate (16883-61-7) + (4-chlorophenylthio)trimethylsilane (30718-19-5) → S-(4-chlorophenyl) 2-methylpropanethioate (56421-91-1)

Guidance literature:

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

DOI:10.1246/cl.1992.1747

Reference yield: 80.0%

4,4'-dichlorodiphenyl disulfide (1142-19-4) + potassium trifluoro(isopropenyl)borate(1-) + carbon monoxide (201230-82-2) → S-(4-chlorophenyl) 2-methylpropanethioate (56421-91-1)

Guidance literature:

With manganese(III) triacetate dihydrate; In 1,2-dichloro-ethane; at 60 ℃; for 16h; under 45004.5 Torr; Inert atmosphere; Autoclave;

DOI:10.1039/d1ob01960k

Reference yield:

isobutyryl chloride (79-30-1) + p-Chlorothiophenol (106-54-7) → S-(4-chlorophenyl) 2-methylpropanethioate (56421-91-1)

Guidance literature:

With pyridine;

DOI:10.1021/ja01525a052

upstream raw materials:

isobutyryl chloride

p-Chlorothiophenol

cis-N.N-Dimethyl-N-<(1.1-dimethyl-2-(p-chlorphenyl)-thio)-cyclopropyl>-amin

trimethylsilyl isobutyrate