Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester

Base Information

Chemical Name:Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester
CAS No.:412015-83-9
Molecular Formula:C12H14O2S2
Molecular Weight:254.374
Hs Code.:
DSSTox Substance ID:DTXSID80423657
Nikkaji Number:J1.671.823H
Mol file:412015-83-9.mol

Synonyms:412015-83-9;Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester;Ethyl 2-((phenylcarbonothioyl)thio)propanoate;ethyl 2-(benzenecarbonothioylsulfanyl)propanoate;starbld0044398;Ethyl 2-(phenylcarbonothioylthio)propionate;SCHEMBL3749730;DTXSID80423657;Propanoic acid, 2-[(phenylthioxomethyl)thi]-, ethyl ester;NXWVPIWRMPQYEX-UHFFFAOYSA-N;CS-0133373;2-(Thiobenzoylthio)propanoic acid ethyl ester;ETHYL 2-(BENZENECARBOTHIOYLSULFANYL)PROPANOATE;Ethyl 2-(phenylcarbonothioylthio)propionate, 97% (HPLC)

Suppliers and Price of Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester

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
Packaging
price

Total 4 raw suppliers

Chemical Property of Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:254.04352203
Heavy Atom Count:16
Complexity:247

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C)SC(=S)C1=CC=CC=C1

Technology Process of Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester

There total 3 articles about Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl 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: 45.0%

: 75-15-0,12122-00-8
carbon disulfide

: 100-59-4
phenylmagnesium chloride

: 535-11-5,41978-69-2
Ethyl 2-bromopropionate

: 412015-83-9
ethyl 2-((phenylcarbonothioyl)thio)propanonate

Guidance literature:: carbon disulfide; phenylmagnesium chloride; In tetrahydrofuran; at 0 - 20 ℃; for 12h; Inert atmosphere;

Ethyl 2-bromopropionate; In tetrahydrofuran; at 100 ℃; for 0.0833333h; Flow reactor;

Reference yield: 37.8%

: 75-15-0,12122-00-8
carbon disulfide

: 108-86-1,52753-63-6
bromobenzene

: 535-11-5,41978-69-2
Ethyl 2-bromopropionate

: 412015-83-9
ethyl 2-((phenylcarbonothioyl)thio)propanonate

Guidance literature:: bromobenzene; With magnesium; In tetrahydrofuran; at 60 ℃; for 0.333333h;

carbon disulfide; Ethyl 2-bromopropionate; In tetrahydrofuran; at 20 - 50 ℃; for 16h;
DOI:10.1016/j.dyepig.2014.11.010