4H-indeno[1,2-b]thiophen-4-one

Base Information

• Chemical Name: 4H-indeno[1,2-b]thiophen-4-one
• CAS No.: 5706-08-1
• Molecular Formula: C11H6OS
• Molecular Weight: 186.234
• European Community (EC) Number: 811-309-2
• DSSTox Substance ID: DTXSID40512071
• Mol file: 5706-08-1.mol

Synonyms:4H-indeno[1,2-b]thiophen-4-one;5706-08-1;indeno[1,2-b]thiophen-4-one;indeno[3,2-b]thiophen-4-one;SCHEMBL9673985;DTXSID40512071;MFCD26668038;AKOS022887811;I1003;T72639

Chemical Property of 4H-indeno[1,2-b]thiophen-4-one

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 186.01393598
• Heavy Atom Count: 13
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=CS3

Technology Process of 4H-indeno[1,2-b]thiophen-4-one

There total 16 articles about 4H-indeno[1,2-b]thiophen-4-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: 88.0%

N-((4H-indeno[1,2-b]thiophen-4-ylidene)methyl)-4-methylbenzenesulfonamide → 4H-Indeno<1,2-b>thiophen-4-one (5706-08-1)

Guidance literature:

With oxygen; caesium carbonate; In toluene; at 80 ℃; Inert atmosphere;

DOI:10.1021/acs.joc.7b03068

Reference yield: 77.0%

2-(thiophen-2-yl)benzoyl fluoride → 4H-Indeno<1,2-b>thiophen-4-one (5706-08-1)

Guidance literature:

With potassium fluoride; palladium diacetate; tricyclohexylphosphine; In 5,5-dimethyl-1,3-cyclohexadiene; at 120 ℃; for 40h; Inert atmosphere; Sealed tube; Glovebox;

DOI:10.1246/bcsj.20210148

Reference yield: 70.0%

2-(2'-carboxyphenyl)thiophene (6072-49-7) → 4H-Indeno<1,2-b>thiophen-4-one (5706-08-1)

Guidance literature:

2-(2'-carboxyphenyl)thiophene; With thionyl chloride; In 1,2-dichloro-ethane; for 8h; Reflux;

With aluminum (III) chloride; nitromethane; In 1,2-dichloro-ethane; at -18 - 20 ℃; for 2h;

DOI:10.1007/s10593-014-1605-1

upstream raw materials:

2-(2'-chloroformylphenyl)thiophene

methanol

4H-indeno[1,2-b]thiophen-4-ol

4H-indeno[1,2-b]thiophene

Downstream raw materials:

spirothiophene>

2-(2-(4-(diphenylamino)phenyl)-4H-indeno[1,2-b]thiophen-4ylidene)malononitrile

2-(4-(diphenylamino)phenyl)-4H-indeno[1,2-b]thiophen-4-one