N-(1,4,5,6,7,8-Hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)acetamide

Base Information

• Chemical Name: N-(1,4,5,6,7,8-Hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)acetamide
• CAS No.: 135718-57-9
• Molecular Formula: C18H19 N3 O S2
• Molecular Weight: 357.493
• DSSTox Substance ID: DTXSID00929121
• Nikkaji Number: J407.086K
• ChEMBL ID: CHEMBL4446897
• Mol file: 135718-57-9.mol

Synonyms:BRN 4333425;N-(1,4,5,6,7,8-Hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)acetamide;135718-57-9;Acetamide, N-(1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)-;CHEMBL4446897;C18H19N3OS2;DTXSID00929121;C18-H19-N3-O-S2;LS-9668;3,4,5,6,7,8-Hexahydro-3-(acetylamino)-4-phenyl[1]benzothieno[2,3-d]pyrimidine-2-thiol;N-(4-Phenyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)ethanimidic acid

Chemical Property of N-(1,4,5,6,7,8-Hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)acetamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.39g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 357.09695459
• Heavy Atom Count: 24
• Complexity: 509

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NN1C(C2=C(NC1=S)SC3=C2CCCC3)C4=CC=CC=C4

Technology Process of N-(1,4,5,6,7,8-Hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)acetamide

There total 1 articles about N-(1,4,5,6,7,8-Hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)acetamide 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: 71.0%

3-Amino-4-phenyl-2-thioxo-1,2,3,4,5,6,7,8-octahydrobenzo<4,5>thieno<2,3-d>pyrimidine (128352-86-3) + acetic anhydride (108-24-7) → N-(4-Phenyl-2-thioxo-1,4,5,6,7,8-hexahydro-2H-benzo[4,5]thieno[2,3-d]pyrimidin-3-yl)-acetamide (135718-57-9)

Guidance literature:

With sulfuric acid; In tetrahydrofuran; for 4h; Ambient temperature;

DOI:10.1016/0223-5234(91)90065-U

upstream raw materials:

3-Amino-4-phenyl-2-thioxo-1,2,3,4,5,6,7,8-octahydrobenzo<4,5>thieno<2,3-d>pyrimidine

acetic anhydride

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