5,7-Diphenyl-6H-cyclohepta[c]thiophen-6-one

Base Information

• Chemical Name: 5,7-Diphenyl-6H-cyclohepta[c]thiophen-6-one
• CAS No.: 32969-09-8
• Molecular Formula: C21H14OS
• Molecular Weight: 314.408
• DSSTox Substance ID: DTXSID80574219

Synonyms:32969-09-8;5,7-Diphenyl-6H-cyclohepta[c]thiophen-6-one;DTXSID80574219

Chemical Property of 5,7-Diphenyl-6H-cyclohepta[c]thiophen-6-one

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 314.07653624
• Heavy Atom Count: 23
• Complexity: 462

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC3=CSC=C3C=C(C2=O)C4=CC=CC=C4

Technology Process of 5,7-Diphenyl-6H-cyclohepta[c]thiophen-6-one

There total 1 articles about 5,7-Diphenyl-6H-cyclohepta[c]thiophen-6-one 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:

→ 5,7-diphenyl-cyclohepta[c]thiophen-6-one (32969-09-8)

Guidance literature:

Thiophendicarbaldehyd-3,4-Dibenzylketon, NaOH;

Reference yield: 63.0%

5,7-diphenyl-cyclohepta[c]thiophen-6-one (32969-09-8) + <2H9>trimethylsulphoxonium iodide (23726-00-3) → <4,4-2H2>-4a,6-diphenyl-4,4a-dihydrocyclopropa<3,4>cyclohepta<1,2-c>thiophen-5(3bH)-one (97679-36-2)

Guidance literature:

With sodium hydride; In various solvent(s); at 0 ℃;

Reference yield:

5,7-diphenyl-cyclohepta[c]thiophen-6-one (32969-09-8) → <5-2H>-7-benzyl-3-formyl-6-phenylbenzothiophene (97679-40-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / sodium hydride / various solvent(s) / 0 °C

2: 1.) TsOH, 2.) SiO₂, sulphuryl chloride / 1.) toluene, 12 h, reflux, 2.) CH₂Cl₂, H₂O, 10 min

With sulfuryl dichloride; silica gel; sodium hydride; toluene-4-sulfonic acid; In various solvent(s);

Downstream raw materials:

<4,4-²H2>-4a,6-diphenyl-4,4a-dihydrocyclopropa<3,4>cyclohepta<1,2-c>thiophen-5(3bH)-one

<5-²H>-7-benzyl-3-formyl-6-phenylbenzothiophene

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