3-(Phenylsulfanyl)heptan-2-one

Base Information

Chemical Name:3-(Phenylsulfanyl)heptan-2-one
CAS No.:62870-24-0
Molecular Formula:C13H18OS
Molecular Weight:222.34600
Hs Code.:
DSSTox Substance ID:DTXSID70490555
Nikkaji Number:J1.321.824B

Synonyms:62870-24-0;3-(PHENYLSULFANYL)HEPTAN-2-ONE;DTXSID70490555

Suppliers and Price of 3-(Phenylsulfanyl)heptan-2-one

Supply Marketing:

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

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Chemical Property of 3-(Phenylsulfanyl)heptan-2-one

Chemical Property:

PSA：42.37000
LogP:3.92650
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:222.10783637
Heavy Atom Count:15
Complexity:185

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(C(=O)C)SC1=CC=CC=C1

Technology Process of 3-(Phenylsulfanyl)heptan-2-one

There total 3 articles about 3-(Phenylsulfanyl)heptan-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: 24.0%

: 14204-24-1
N-(phenylthio)succinimide

: 110-43-0
n-pentyl methyl ketone

: 62870-24-0
3-Phenylthioheptan-2-on

Guidance literature:: With p-toluenesulfonyl chloride; In acetonitrile; at 20 ℃; for 7h;
DOI:10.1016/S0040-4039(00)00515-3

Reference yield:

: 62870-21-7
3,3-Bis-(phenylthio)-heptan-2-ol

: 62870-24-0
3-Phenylthioheptan-2-on

Guidance literature:: With toluene-4-sulfonic acid; In benzene;
DOI:10.1039/c39760001055

Reference yield:

: 3561-67-9
bis(phenylthio)methane

: 62870-24-0
3-Phenylthioheptan-2-on

Guidance literature:: Multi-step reaction with 3 steps

1: nBuLi / tetrahydrofuran

2: (i) nBuLi, TMEDA, hexane, (ii) /BRN= 505984/

3: TsOH / benzene

With n-butyllithium; toluene-4-sulfonic acid; In tetrahydrofuran; benzene;