5H-1-Benzothiopyran-5-one, 4,6,7,8-tetrahydro-2,4-diphenyl-

Base Information

• Chemical Name: 5H-1-Benzothiopyran-5-one, 4,6,7,8-tetrahydro-2,4-diphenyl-
• CAS No.: 53853-00-2
• Molecular Formula: C21H18OS
• Molecular Weight: 318.439
• DSSTox Substance ID: DTXSID50386109

Synonyms:53853-00-2;5H-1-Benzothiopyran-5-one, 4,6,7,8-tetrahydro-2,4-diphenyl-;2,4-diphenyl-4,6,7,8-tetrahydrothiochromen-5-one;Oprea1_694263;DTXSID50386109

Chemical Property of 5H-1-Benzothiopyran-5-one, 4,6,7,8-tetrahydro-2,4-diphenyl-

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 318.10783637
• Heavy Atom Count: 23
• Complexity: 518

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=C(C(C=C(S2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C1

Technology Process of 5H-1-Benzothiopyran-5-one, 4,6,7,8-tetrahydro-2,4-diphenyl-

There total 2 articles about 5H-1-Benzothiopyran-5-one, 4,6,7,8-tetrahydro-2,4-diphenyl- 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: 65.0%

2-(1,3-Diphenyl-3-oxopropyl)cyclohexane-1,3-dione (53852-96-3) → 2,4-diphenyl-5-oxo-5,6,7,8-tetrahydro-4H-thiochromene (53853-00-2)

Guidance literature:

With hydrogenchloride; zinc sulfide; In diethyl ether;

DOI:10.1023/A:1002725730088

Reference yield:

→ 2,4-diphenyl-5-oxo-5,6,7,8-tetrahydro-4H-thiochromene (53853-00-2)

Guidance literature:

1,3-Diphenyl-3-(2-dihydroresorcinyl)-1-propanon I, H2S;

Reference yield: 80.0%

2,4-diphenyl-5-oxo-5,6,7,8-tetrahydro-4H-thiochromene (53853-00-2) → 2,3-dichloro-5-oxo-2,4-diphenyl-3,4,5,6,7,8-hexahydro-2H-thiochromene

Guidance literature:

With phosphorus pentachloride; In chloroform; at 20 ℃; for 10h;

DOI:10.1007/BF02251637

upstream raw materials:

2-(1,3-Diphenyl-3-oxopropyl)cyclohexane-1,3-dione

Downstream raw materials:

2,4-diphenyl-5-benzylidene-5,6,7,8-tetrahydro-4H-thio-chromene

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