4-Chloro-4-(4-methylbenzene-1-sulfonyl)-1-phenylpentan-3-one

Base Information

Chemical Name:4-Chloro-4-(4-methylbenzene-1-sulfonyl)-1-phenylpentan-3-one
CAS No.:141036-83-1
Molecular Formula:C18H19ClO3S
Molecular Weight:350.866
Hs Code.:
DSSTox Substance ID:DTXSID10576286
Mol file:141036-83-1.mol

Synonyms:141036-83-1;DTXSID10576286;4-Chloro-4-(4-methylbenzene-1-sulfonyl)-1-phenylpentan-3-one

Suppliers and Price of 4-Chloro-4-(4-methylbenzene-1-sulfonyl)-1-phenylpentan-3-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 4-Chloro-4-(4-methylbenzene-1-sulfonyl)-1-phenylpentan-3-one

Chemical Property:

Boiling Point:495.9±45.0 °C(Predicted)
PSA：59.59000
Density:1.240±0.06 g/cm3(Predicted)
LogP:5.00640
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:350.0743433
Heavy Atom Count:23
Complexity:497

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)C(C)(C(=O)CCC2=CC=CC=C2)Cl

Technology Process of 4-Chloro-4-(4-methylbenzene-1-sulfonyl)-1-phenylpentan-3-one

There total 4 articles about 4-Chloro-4-(4-methylbenzene-1-sulfonyl)-1-phenylpentan-3-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: 100.0%

: 4-Chloro-1-phenyl-4-(toluene-4-sulfonyl)-pentan-3-ol

: 141036-83-1
2-chloro-2-(p-tolylsulfonyl)-5-phenyl-3-pentanone

Guidance literature:: With Swern oxidation reagent;
DOI:10.1246/cl.1992.381

Reference yield:

: 134970-66-4
4-Chloro-1-phenyl-4-(toluene-4-sulfinyl)-pentan-3-ol

: 141036-83-1
2-chloro-2-(p-tolylsulfonyl)-5-phenyl-3-pentanone

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / MCPBA / CH₂Cl₂ / 1 h / Ambient temperature

2: 1.) oxalyl chloride, DMSO, 2.) triethylamine / 1.) CH₂Cl₂, -60 deg C, 15 min, 2.) CH₂Cl₂, from -60 deg C to 0 deg C

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; 3-chloro-benzenecarboperoxoic acid; In dichloromethane;
DOI:10.1246/bcsj.66.2339

Reference yield:

: 104-53-0
3-phenyl-propionaldehyde

: 141036-83-1
2-chloro-2-(p-tolylsulfonyl)-5-phenyl-3-pentanone

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) LDA / 1.) THF, -60 deg C, 15 min, 2.) THF, 5 min

2: 96 percent / MCPBA / CH₂Cl₂ / 1 h / Ambient temperature

3: 1.) oxalyl chloride, DMSO, 2.) triethylamine / 1.) CH₂Cl₂, -60 deg C, 15 min, 2.) CH₂Cl₂, from -60 deg C to 0 deg C

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; 3-chloro-benzenecarboperoxoic acid; lithium diisopropyl amide; In dichloromethane;
DOI:10.1246/bcsj.66.2339