11-(5-{[5-Cyano-2-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid

Base Information

Chemical Name:11-(5-{[5-Cyano-2-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid
CAS No.:7063-73-2
Molecular Formula:C31H44N4O4S2
Molecular Weight:600.8355
Hs Code.:
DSSTox Substance ID:DTXSID20414367

11-(5-{[5-Cyano-2-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid

Synonyms:7063-73-2;DTXSID20414367;11-(5-{[5-Cyano-2-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid

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Chemical Property of 11-(5-{[5-Cyano-2-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid

Chemical Property:

Vapor Pressure:4.32E-17mmHg at 25°C
Boiling Point:622.4°Cat760mmHg
Flash Point:330.2°C
Density:1.25g/cm³
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:14
Exact Mass:600.28039824
Heavy Atom Count:41
Complexity:1170

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCCCCCCCCCC(=O)O)N3CC(CC(C3)C)C

Technology Process of 11-(5-{[5-Cyano-2-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid

There total 3 articles about 11-(5-{[5-Cyano-2-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid 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: 96.0%

: 108-98-5
thiophenol

: 31827-94-8
2-bromo-1-(4-iodophenyl)ethanone

: 7063-73-2
2-(4-iodophenyl)ethanonyl phenyl sulfide

Guidance literature:: thiophenol; In methanol; Inert atmosphere;

2-bromo-1-(4-iodophenyl)ethanone; In dimethyl sulfoxide; at 20 ℃; for 0.25h; Inert atmosphere;
DOI:10.1002/ejoc.201201422

Reference yield:

: 13329-40-3
4-Iodoacetophenone

: 7063-73-2
2-(4-iodophenyl)ethanonyl phenyl sulfide

Guidance literature:: Multi-step reaction with 2 steps

1.1: copper(I) bromide / ethanol / 60 °C / Inert atmosphere

2.1: methanol / Inert atmosphere

2.2: 0.25 h / 20 °C / Inert atmosphere

With copper(I) bromide; In methanol; ethanol;
DOI:10.1002/ejoc.201201422