Benzo[b]thiophene-4,7-dione

Base Information

• Chemical Name: Benzo[b]thiophene-4,7-dione
• CAS No.: 73630-87-2
• Molecular Formula: C8H4O2S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID20450780
• Nikkaji Number: J11.237B
• Wikidata: Q82270599
• Mol file: 73630-87-2.mol

Synonyms:73630-87-2;Benzo[b]thiophene-4,7-dione;Thianaphthene-4,7-quinone;SCHEMBL18384496;DTXSID20450780;benzo-[b]-thiophene-4,7 quinone

Chemical Property of Benzo[b]thiophene-4,7-dione

Chemical Property:

• PSA: 62.38000
• LogP: 1.68330
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 163.99320054
• Heavy Atom Count: 11
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)C2=C(C1=O)C=CS2

Technology Process of Benzo[b]thiophene-4,7-dione

There total 9 articles about Benzo[b]thiophene-4,7-dione 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: 70.0%

4,7-dimethoxybenzothiophene (68452-01-7) → benzothiophene-4,7-quinone (73630-87-2)

Guidance literature:

With ammonium cerium(IV) nitrate; In water; acetonitrile; for 1.5h;

Reference yield: 46.6%

4-methoxybenzo[b]thiophene (3781-90-6) → benzothiophene-4,7-quinone (73630-87-2) + 4,7-dimethoxybenzothiophene (68452-01-7)

Guidance literature:

With potassium hydroxide; In methanol; anodic oxidation;

DOI:10.1021/jo00171a031

Reference yield:

7-amino-benzo[b]thiophen-4-ol; hydrochloride → benzothiophene-4,7-quinone (73630-87-2)

Guidance literature:

With sulfuric acid; Eintragen des Reaktionsgemisches in wss. Kaliumdichromat-Loesung;

DOI:10.1021/ja01312a033

upstream raw materials:

4-methoxybenzo[b]thiophene

4,7-dimethoxybenzothiophene

sulfuric acid

4,7-dimethoxy-benzo[b]thiophene-2-carboxylic acid

Downstream raw materials:

5-[(2-acetylphenyl)amino]-1-benzo[b]thiophene-4,7-dione

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