7-tert-butyl-2-(3-chlorophenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Base Information

Chemical Name:7-tert-butyl-2-(3-chlorophenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CAS No.:5086-68-0
Molecular Formula:C₁₄H₁₅F₃N₂O₂S
Molecular Weight:332.347
Hs Code.:
DSSTox Substance ID:DTXSID00389549

Synonyms:5086-68-0;7-tert-butyl-2-(3-chlorophenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one;Oprea1_027731;Oprea1_487777;DTXSID00389549;LJLZIDAFRNZQGN-UHFFFAOYSA-N;STL456212;AKOS000543792;AKOS005227253;EU-0004888;AG-690/12894511;SR-01000432767;SR-01000432767-1;7-tert-Butyl-2-(3-chloro-phenyl)-2,3,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d;7-tert-butyl-2-(3-chlorophenyl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol

Suppliers and Price of 7-tert-butyl-2-(3-chlorophenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Supply Marketing:

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

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Chemical Property of 7-tert-butyl-2-(3-chlorophenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Chemical Property:

Vapor Pressure:5.37E-15mmHg at 25°C
XLogP3:6.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:374.1219622
Heavy Atom Count:25
Complexity:522

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC=C4)Cl

Technology Process of 7-tert-butyl-2-(3-chlorophenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

There total 4 articles about 7-tert-butyl-2-(3-chlorophenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one 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:

: 6649-48-5
2-(2-acetylimino-thiazolidin-3-yl)-1-(3-trifluoromethyl-phenyl)-ethanone

: 5086-68-0
2-(2-acetylimino-thiazolidin-3-yl)-1-(3-trifluoromethyl-phenyl)-ethanol

Guidance literature:: With sodium tetrahydroborate; In methanol; for 1h; Ambient temperature;
DOI:10.1021/jm00322a023

Reference yield:

: 91399-10-9
2-(2-imino-thiazolidin-3-yl)-1-(3-trifluoromethyl-phenyl)-ethanone

: 5086-68-0
2-(2-acetylimino-thiazolidin-3-yl)-1-(3-trifluoromethyl-phenyl)-ethanol

Guidance literature:: Multi-step reaction with 2 steps

1: Py / CHCl₃ / 1.5 h / Heating

2: NaBH₄ / methanol / 1 h / Ambient temperature

With pyridine; sodium tetrahydroborate; In methanol; chloroform;
DOI:10.1021/jm00322a023

Reference yield:

: 2003-10-3
2-bromo-1-[3-(trifluoromethyl)phenyl]ethanone

: 5086-68-0
2-(2-acetylimino-thiazolidin-3-yl)-1-(3-trifluoromethyl-phenyl)-ethanol

Guidance literature:: Multi-step reaction with 3 steps

1: acetonitrile / 0.5 h / Heating

2: Py / CHCl₃ / 1.5 h / Heating

3: NaBH₄ / methanol / 1 h / Ambient temperature

With pyridine; sodium tetrahydroborate; In methanol; chloroform; acetonitrile;
DOI:10.1021/jm00322a023