2-Thiazolidinethione, 3-acetyl-4-(phenylmethyl)-, (4S)-

Base Information

Chemical Name:2-Thiazolidinethione, 3-acetyl-4-(phenylmethyl)-, (4S)-
CAS No.:790661-41-5
Molecular Formula:C12H13NOS2
Molecular Weight:251.373
Hs Code.:
DSSTox Substance ID:DTXSID40465159
Nikkaji Number:J2.393.137K
Wikidata:Q82290901

Synonyms:790661-41-5;2-Thiazolidinethione, 3-acetyl-4-(phenylmethyl)-, (4S)-;(S)-1-(4-Benzyl-2-thioxothiazolidin-3-yl)ethan-1-one;(4S)-3-Acetyl-4-benzylthiazolidine-2-thione;1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone;SCHEMBL22869312;DTXSID40465159;MFCD24848823;AS-81843;CS-0097409;E81165;1-[(4S)-4-(phenylmethyl)-2-thioxo-3-thiazolidinyl]-Ethanone;1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethan-1-one

Suppliers and Price of 2-Thiazolidinethione, 3-acetyl-4-(phenylmethyl)-, (4S)-

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 6 raw suppliers

Chemical Property of 2-Thiazolidinethione, 3-acetyl-4-(phenylmethyl)-, (4S)-

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:251.04385639
Heavy Atom Count:16
Complexity:287

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)N1C(CSC1=S)CC2=CC=CC=C2
Isomeric SMILES:CC(=O)N1[C@H](CSC1=S)CC2=CC=CC=C2

Technology Process of 2-Thiazolidinethione, 3-acetyl-4-(phenylmethyl)-, (4S)-

There total 1 articles about 2-Thiazolidinethione, 3-acetyl-4-(phenylmethyl)-, (4S)- 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: 95.0%

: 75-36-5
acetyl chloride

: 171877-39-7
(S)-4-benzylthiazolidin-2-thione

: 790661-41-5
(S)-1-(4-benzyl-2-thioxothiazolidin-3-yl)ethan-1-one

Guidance literature:: (S)-4-benzylthiazolidin-2-thione; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 0.5h; Inert atmosphere;

acetyl chloride; In tetrahydrofuran; hexane; at 0 ℃; Inert atmosphere;
DOI:10.1055/s-2008-1067089

Reference yield: 91.0%

: 14371-10-9
(E)-3-phenylpropenal

: 790661-41-5
(S)-1-(4-benzyl-2-thioxothiazolidin-3-yl)ethan-1-one

: 1384193-00-3
(4S)-4-benzyl-3-[(3R,4E)-3-hydroxy-5-phenylpent-4-enoyl]-1,3-thiazolidine-2-thione

Guidance literature:: (S)-1-(4-benzyl-2-thioxothiazolidin-3-yl)ethan-1-one; With titanium tetrachloride; In dichloromethane; at 0 ℃; for 0.166667h; Inert atmosphere;

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 ℃; for 0.166667h; Enzymatic reaction;

(E)-3-phenylpropenal; In dichloromethane; at -78 ℃; for 1.5h;

Reference yield: 88.0%

: 14371-10-9
(E)-3-phenylpropenal

: 790661-41-5
(S)-1-(4-benzyl-2-thioxothiazolidin-3-yl)ethan-1-one

: 1384193-09-2
(4S)-4-benzyl-3-[(3S,4E)-3-hydroxy-5-phenylpent-4-enoyl]-1,3-thiazolidine-2-thione

: 1384193-00-3
(4S)-4-benzyl-3-[(3R,4E)-3-hydroxy-5-phenylpent-4-enoyl]-1,3-thiazolidine-2-thione

Guidance literature:: (S)-1-(4-benzyl-2-thioxothiazolidin-3-yl)ethan-1-one; With titanium tetrachloride; In dichloromethane; at 0 ℃; Inert atmosphere;

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 ℃; for 0.166667h; Inert atmosphere;

(E)-3-phenylpropenal; In dichloromethane; at -78 ℃; for 0.166667h; optical yield given as %de; diastereoselective reaction; Inert atmosphere;
DOI:10.1055/s-0031-1290771