2-Benzoyl-1H-1-benzothiophene-1,1,3(2H)-trione

Base Information

• Chemical Name: 2-Benzoyl-1H-1-benzothiophene-1,1,3(2H)-trione
• CAS No.: 86296-62-0
• Molecular Formula: C₁₅H₁₀O₄S
• Molecular Weight: 286.308
• DSSTox Substance ID: DTXSID70515717

Synonyms:86296-62-0;2-Benzoyl-1H-1-benzothiophene-1,1,3(2H)-trione;DTXSID70515717

Chemical Property of 2-Benzoyl-1H-1-benzothiophene-1,1,3(2H)-trione

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 286.02997997
• Heavy Atom Count: 20
• Complexity: 511

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2C(=O)C3=CC=CC=C3S2(=O)=O

Technology Process of 2-Benzoyl-1H-1-benzothiophene-1,1,3(2H)-trione

There total 6 articles about 2-Benzoyl-1H-1-benzothiophene-1,1,3(2H)-trione 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%

2-benzoylbenzothiophen-3(2H)-one (55405-42-0) → 2-benzoylbenzothiophen-3(2H)-one 1,1-dioxide (86296-62-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 1h; Ambient temperature;

Reference yield: 66.0%

benzoyl chloride (98-88-4) + 1-benzothiophen-3(2H)-one 1,1-dioxide (1127-35-1) → 2-benzoylbenzothiophen-3(2H)-one 1,1-dioxide (86296-62-0)

Guidance literature:

With potassium fluoride; In acetonitrile; for 0.5h; Heating;

Reference yield: 24.0%

2-phenyl-4H-thiochromen-4-one 1,1-dioxide (22810-28-2) → 2-benzoylbenzothiophen-3(2H)-one 1,1-dioxide (86296-62-0)

Guidance literature:

With dihydrogen peroxide; sodium carbonate; In ethanol; water; for 0.166667h; Heating;

upstream raw materials:

2-benzoylbenzothiophen-3(2H)-one

2-phenyl-4H-thiochromen-4-one 1,1-dioxide

benzoyl chloride

1-benzothiophen-3(2H)-one 1,1-dioxide

Downstream raw materials:

1-phenyl-3H-thiopyrano<3,4-b><1>benzothiophen-3-thione 9,9-dioxide

4-methyl-1-phenyl-3H-thiopyrano<3,4-b><1>benzothiophen-3-thione 9,9-dioxide

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