1-[(2-Chlorophenyl)sulfanyl]propan-2-one

Base Information

• Chemical Name: 1-[(2-Chlorophenyl)sulfanyl]propan-2-one
• CAS No.: 17514-52-2
• Molecular Formula: C9H9ClOS
• Molecular Weight: 200.689
• DSSTox Substance ID: DTXSID00544575
• Wikidata: Q72457666
• Mol file: 17514-52-2.mol

Synonyms:17514-52-2;1-[(2-Chlorophenyl)sulfanyl]propan-2-one;1-[(2-Chlorophenyl)thio]-2-propanone;1-(2-chlorophenyl)sulfanylpropan-2-one;1-((2-chlorophenyl)thio)propan-2-one;1-[(2-chlorophenyl)thio]propan-2-one;SCHEMBL806076;DTXSID00544575;AKOS008904898;CS-0272165;EN300-220024

Chemical Property of 1-[(2-Chlorophenyl)sulfanyl]propan-2-one

Chemical Property:

• Boiling Point: 274℃
• Flash Point: 120℃
• PSA: 42.37000
• Density: 1.24
• LogP: 3.02110
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.0062638
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

1-[(2-Chlorophenyl)thio]-2-propanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CSC1=CC=CC=C1Cl
• Uses: 1-[(o-Chlorophenyl)thio]-2-propanone is used in the preparation of pharmacologically active benzo[b]thiophene derivatives. Used in the preparation of pharmacologically active benzo[b]thiophene derivatives.

Technology Process of 1-[(2-Chlorophenyl)sulfanyl]propan-2-one

There total 4 articles about 1-[(2-Chlorophenyl)sulfanyl]propan-2-one 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: 58.0%

2-chlorothiphenol (6320-03-2) + 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical (2564-83-2,45842-10-2,126517-51-9,25657-03-8,26933-82-4,54637-06-8,64104-42-3) → 1-(2-chlorophenylthio)propan-2-one (17514-52-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl acetamide; at 150 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c9ob00018f

Reference yield: 55.0%

bis(2-chlorobenzene)disulfide (31121-19-4) + acetone (67-64-1) → 1-(2-chlorophenylthio)propan-2-one (17514-52-2)

Guidance literature:

With tert.-butylhydroperoxide; di-tert-butyl peroxide; at 120 ℃; for 24h;

DOI:10.1016/j.tetlet.2015.05.059

Reference yield:

2-chlorothiphenol (6320-03-2) + chloroacetone (78-95-5) → 1-(2-chlorophenylthio)propan-2-one (17514-52-2)

Guidance literature:

With potassium carbonate; In acetone; for 2h; Reflux;

upstream raw materials:

2-chlorothiphenol

chloroacetone

bis(2-chlorobenzene)disulfide

acetone

Downstream raw materials:

3-methyl-7-chlorobenzo[b]thiophene

3-Bromomethyl-7-chlorobenzothiophene

sertaconazole nitrate

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