[(4S)-4-phenyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-pyridin-3-ylmethanone

Base Information

Chemical Name:[(4S)-4-phenyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-pyridin-3-ylmethanone
CAS No.:230309-03-2
Molecular Formula:C15H12N2OS2
Molecular Weight:300.405
Hs Code.:
DSSTox Substance ID:DTXSID60469295
Nikkaji Number:J1.106.525B
Wikidata:Q82296952
Mol file:230309-03-2.mol

Synonyms:CTK0I8132;230309-03-2;DTXSID60469295

Suppliers and Price of [(4S)-4-phenyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-pyridin-3-ylmethanone

Supply Marketing:

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

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Chemical Property of [(4S)-4-phenyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-pyridin-3-ylmethanone

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:300.03910536
Heavy Atom Count:20
Complexity:382

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(N(C(=S)S1)C(=O)C2=CN=CC=C2)C3=CC=CC=C3
Isomeric SMILES:C1[C@@H](N(C(=S)S1)C(=O)C2=CN=CC=C2)C3=CC=CC=C3

Technology Process of [(4S)-4-phenyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-pyridin-3-ylmethanone

There total 2 articles about [(4S)-4-phenyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-pyridin-3-ylmethanone 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%

: 20260-53-1
pyridine-3-carbonyl chloride hydrochloride

: 185137-29-5
(4S)-4-phenyl-1,3-thiazolidine-2-thione

: 230309-03-2
(4S)-(4-phenyl-2-thioxo-1,3-diazolidin-3-yl)-pyridin-3-yl-methanone

Guidance literature:: With triethylamine; In dichloromethane; at 20 ℃; for 4.5h;
DOI:10.1016/S0040-4020(01)00892-4

Reference yield:

: 20989-17-7
(2S)-2-phenylglycinol

: 230309-03-2
(4S)-(4-phenyl-2-thioxo-1,3-diazolidin-3-yl)-pyridin-3-yl-methanone

Guidance literature:: Multi-step reaction with 2 steps

1.1: H₂SO₄ conc. / 2 h / 0 °C

1.2: 50 percent / aq. NaOH; H₂SO₄ / 9 h / 50 °C / pH 9

2.1: 85 percent / Et₃N / CH₂Cl₂ / 4.5 h / 20 °C

With sulfuric acid; triethylamine; In dichloromethane;
DOI:10.1016/S0040-4020(01)00892-4

Reference yield:

: 230309-03-2
(4S)-(4-phenyl-2-thioxo-1,3-diazolidin-3-yl)-pyridin-3-yl-methanone

: (R)-4-(4-Fluoro-phenyl)-piperidine-3-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: CuBr*SMe₂

1.2: 78 percent / -70 °C

2.1: 71 percent / methanol; CH₂Cl₂ / 3 h / 20 °C

3.1: 97 percent / H₂ / PtO₂ / ethanol / 144 h / 760 Torr

With copper(I) bromide dimethylsulfide complex; hydrogen; platinum(IV) oxide; In methanol; ethanol; dichloromethane;
DOI:10.1016/j.tetlet.2005.10.049