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

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)benzamide
• CAS No.: 135718-59-1
• Molecular Formula: C23H21 N3 O S2
• Molecular Weight: 419.5623
• DSSTox Substance ID: DTXSID20929123
• Nikkaji Number: J407.088G
• ChEMBL ID: CHEMBL4471835
• Mol file: 135718-59-1.mol

Synonyms:BRN 4337025;N-(1,4,5,6,7,8-Hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)benzamide;135718-59-1;Benzamide, N-(1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)-;CHEMBL4471835;C23H21N3OS2;DTXSID20929123;C23-H21-N3-O-S2;LS-26899;3,4,5,6,7,8-Hexahydro-3-(benzoylamino)-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)benzenecarboximidic 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)benzamide

Chemical Property:

• Density: 1.4g/cm³
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 419.11260465
• Heavy Atom Count: 29
• Complexity: 617

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: C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3C4=CC=CC=C4)NC(=O)C5=CC=CC=C5

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

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)benzamide 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: 72.0%

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) + benzoyl chloride (98-88-4) → 3-benzoylamino-4-phenyl-2-thioxo-1,2,3,4,5,6,7,8-octahydrobenzo<4,5>thieno<2,3-d>pyrimidine (135718-59-1)

Guidance literature:

With calcium hydroxide; In tetrahydrofuran; for 2h; Heating;

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

benzoyl chloride

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