Pentanethioic acid, 4-oxo-, S-phenyl ester

Base Information

Chemical Name:Pentanethioic acid, 4-oxo-, S-phenyl ester
CAS No.:61049-75-0
Molecular Formula:C11H12O2S
Molecular Weight:208.281
Hs Code.:
DSSTox Substance ID:DTXSID90484153
Nikkaji Number:J2.244.849H
Wikidata:Q82322253

Synonyms:61049-75-0;Pentanethioic acid, 4-oxo-, S-phenyl ester;DTXSID90484153

Suppliers and Price of Pentanethioic acid, 4-oxo-, S-phenyl ester

Supply Marketing:

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

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Chemical Property of Pentanethioic acid, 4-oxo-, S-phenyl ester

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:208.05580079
Heavy Atom Count:14
Complexity:207

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CCC(=O)SC1=CC=CC=C1

Technology Process of Pentanethioic acid, 4-oxo-, S-phenyl ester

There total 2 articles about Pentanethioic acid, 4-oxo-, S-phenyl ester 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: 80.0%

: 108-98-5
thiophenol

: 123-76-2
levulinic acid

: 61049-75-0
4-oxo-pentanethioic acid S-phenyl ester

Guidance literature:: With 2-fluoro-1-ethylpyridinium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 24h;
DOI:10.1016/j.tetlet.2005.09.154

Reference yield: 50.0%

: 83300-70-3
5,5-Bis-phenylsulfanyl-pent-4-en-2-one

: 61049-75-0
4-oxo-pentanethioic acid S-phenyl ester

Guidance literature:: With formic acid; for 3h; Ambient temperature;
DOI:10.1055/s-1982-30002

Reference yield: 83.0%

: 61049-75-0
4-oxo-pentanethioic acid S-phenyl ester

: 117892-77-0
(α-methylbenzyl)zinc chloride

: 6-phenylheptane-2,5-dione

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; zinc(II) chloride; tricyclohexylphosphine; In tetrahydrofuran; at 28 ℃; for 12h; Schlenk technique; Inert atmosphere;
DOI:10.1016/j.tet.2013.11.104