Ethyl 3-(phenylsulfanyl)butanoate

Base Information

Chemical Name:Ethyl 3-(phenylsulfanyl)butanoate
CAS No.:111731-00-1
Molecular Formula:C12H16O2S
Molecular Weight:224.324
Hs Code.:
DSSTox Substance ID:DTXSID40551586
Mol file:111731-00-1.mol

Synonyms:111731-00-1;Ethyl 3-(phenylsulfanyl)butanoate;DTXSID40551586;AKOS008967854

Suppliers and Price of Ethyl 3-(phenylsulfanyl)butanoate

Supply Marketing:

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

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Chemical Property of Ethyl 3-(phenylsulfanyl)butanoate

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:224.08710092
Heavy Atom Count:15
Complexity:188

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3-(phenylsulfanyl)butanoate

There total 12 articles about Ethyl 3-(phenylsulfanyl)butanoate 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: 85.0%

: 64206-12-8
ethyl 3,3-bis(thiophenyl)butanoate

: 111731-00-1
3-phenylthio-ethylbutyrate

Guidance literature:: With tetra(n-butyl)ammonium hydrogensulfate; In acetonitrile; at 25 ℃; Hg cathode, Pt-wire anode, Ag/AgNO₃ (0.1N) reference elctrode;
DOI:10.1016/S0040-4020(01)81653-7

Reference yield: 85.0%

: 497181-04-1
3-(4-trimethylsilanyl-phenylsulfanyl)-butyric acid ethyl ester

: 111731-00-1
3-phenylthio-ethylbutyrate

Guidance literature:: With trifluoroacetic acid; at 0 ℃; for 2.5h;
DOI:10.1016/S0040-4039(02)02052-X

Reference yield: 61.0%

: 10544-63-5
ethyl crotonate

: 882-33-7
diphenyldisulfane

: 111731-00-1
3-phenylthio-ethylbutyrate

Guidance literature:: diphenyldisulfane; With bis(cyclopentadienyl)titanium dichloride; zinc; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

ethyl crotonate; In tetrahydrofuran; at 20 ℃; for 5h; Inert atmosphere;
DOI:10.3184/030823409X12592534682310