Methanone, (2-methylbenzo[b]thien-3-yl)phenyl-

Base Information

• Chemical Name: Methanone, (2-methylbenzo[b]thien-3-yl)phenyl-
• CAS No.: 65628-46-8
• Molecular Formula: C16H12OS
• Molecular Weight: 252.337
• DSSTox Substance ID: DTXSID70434979
• Wikidata: Q82249613

Synonyms:65628-46-8;Methanone, (2-methylbenzo[b]thien-3-yl)phenyl-;DTXSID70434979

Chemical Property of Methanone, (2-methylbenzo[b]thien-3-yl)phenyl-

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 252.06088618
• Heavy Atom Count: 18
• Complexity: 308

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: CC1=C(C2=CC=CC=C2S1)C(=O)C3=CC=CC=C3

Technology Process of Methanone, (2-methylbenzo[b]thien-3-yl)phenyl-

There total 6 articles about Methanone, (2-methylbenzo[b]thien-3-yl)phenyl- 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: 64.0%

2-Methylbenzothiophene (1195-14-8) + benzoyl chloride (98-88-4) → 3-benzoyl-2-methylbenzothiophene (65628-46-8)

Guidance literature:

With 1,1,1,3',3',3'-hexafluoro-propanol; at 20 ℃; for 5h; Inert atmosphere;

DOI:10.1021/acs.orglett.6b01460

Reference yield: 50.0%

2-((2-(phenylethynyl)phenyl)thio)propanoic acid → 3-benzoyl-2-methylbenzothiophene (65628-46-8)

Guidance literature:

With [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate; caesium carbonate; In dimethyl sulfoxide; at 20 ℃; for 48h; Irradiation;

DOI:10.1039/c7cc04813k

Reference yield: 40.0%

3-benzoyl-2-methyl-4,5,6,7-tetrahydrobenzothiophene → 3-benzoyl-2-methylbenzothiophene (65628-46-8)

Guidance literature:

With sulfur; at 250 ℃;

DOI:10.1002/jhet.5570210217

upstream raw materials:

2-Methylbenzothiophene

benzoyl chloride

diiodomethane

Benzo[b]thiophene

Downstream raw materials:

11-thiabenzo[a]fluorene

benzo[b]naphtho[2,3-d]thiophene

<1>benzothieno<2,3-b>-1,4-naphthoquinone

11-hydroxybenzonaphtho<2,3-d>thiophene

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