1-(Phenylsulfanyl)heptan-2-one

Base Information

Chemical Name:1-(Phenylsulfanyl)heptan-2-one
CAS No.:38793-74-7
Molecular Formula:C13H18OS
Molecular Weight:222.351
Hs Code.:
DSSTox Substance ID:DTXSID00503440
Wikidata:Q82357258
Mol file:38793-74-7.mol

Synonyms:38793-74-7;1-(PHENYLSULFANYL)HEPTAN-2-ONE;DTXSID00503440;AKOS014475077

Suppliers and Price of 1-(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 1-(Phenylsulfanyl)heptan-2-one

Chemical Property:

PSA：42.37000
LogP:3.92810
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:222.10783637
Heavy Atom Count:15
Complexity:173

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCC(=O)CSC1=CC=CC=C1

Technology Process of 1-(Phenylsulfanyl)heptan-2-one

There total 6 articles about 1-(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: 64.0%

: 1-(hept-1-en-2-yloxy)-2,6-dimethylpyridin-1-ium bis((trifluoromethyl)sulfonyl)amide

: 108-98-5
thiophenol

: 38793-74-7
1-(phenylthio)heptan-2-one

Guidance literature:: With bis(trifluoromethane)sulfonimide lithium; sodium iodide; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride; In acetonitrile; at 25 ℃; for 12h; Sealed tube; Schlenk technique; Inert atmosphere; Glovebox; Irradiation;
DOI:10.1016/j.cclet.2022.01.028

Reference yield:

: 142-61-0
Hexanoyl chloride

: 38793-74-7
1-(phenylthio)heptan-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: Arndt-Eistert transformation

2: methanol

In methanol;
DOI:10.1016/S0040-4039(00)81635-4

Reference yield:

: 628-71-7
1-Heptyne

: 38793-74-7
1-(phenylthio)heptan-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: 20 °C

2: 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride; sodium iodide; bis(trifluoromethane)sulfonimide lithium / acetonitrile / 12 h / 25 °C / Sealed tube; Schlenk technique; Inert atmosphere; Glovebox; Irradiation

With bis(trifluoromethane)sulfonimide lithium; sodium iodide; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride; In acetonitrile;
DOI:10.1016/j.cclet.2022.01.028