Anthra[2,3-b]benzo[d]thiophene-7,12-dione

Base Information

• Chemical Name: Anthra[2,3-b]benzo[d]thiophene-7,12-dione
• CAS No.: 13781-50-5
• Molecular Formula: C₂₀H₁₀O₂S
• Molecular Weight: 314.364
• NSC Number: 135513
• DSSTox Substance ID: DTXSID70300241
• Nikkaji Number: J3.543.043A
• Wikidata: Q82043141

Synonyms:anthra[2,3-b]benzo[d]thiophene-7,12-dione;13781-50-5;NSC135513;SCHEMBL2335645;DTXSID70300241;GTQCZMZQLQCVNV-UHFFFAOYSA-N;NSC-135513

Chemical Property of Anthra[2,3-b]benzo[d]thiophene-7,12-dione

Chemical Property:

• Vapor Pressure: 1.95E-12mmHg at 25°C
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 314.04015073
• Heavy Atom Count: 23
• Complexity: 530

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C4C(=C3)C5=CC=CC=C5S4

Technology Process of Anthra[2,3-b]benzo[d]thiophene-7,12-dione

There total 10 articles about Anthra[2,3-b]benzo[d]thiophene-7,12-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: 95.0%

6,6a,12a,13-Tetrahydroanthra<2,3-b>benzothiophen-7,12-dion (113354-61-3) → Anthra<2,3-b>benzothiophen-7,12-dion (13781-50-5)

Guidance literature:

With potassium hydroxide; oxygen; In ethanol; for 3h; Ambient temperature;

Reference yield: 89.0%

C26H16O2S → Anthra<2,3-b>benzothiophen-7,12-dion (13781-50-5)

Guidance literature:

With 2,6-dimethylbenzoic acid; palladium diacetate; In toluene; at 130 ℃; for 18h;

DOI:10.1039/c5sc04890g

Reference yield: 70.0%

2-(o-carboxybenzoyl)dibenzothiophene (31123-60-1) → Anthra<2,3-b>benzothiophen-7,12-dion (13781-50-5)

Guidance literature:

With aluminum (III) chloride; phosphorus pentachloride; In 1,2-dichloro-benzene;

DOI:10.1039/c3tc31421a

upstream raw materials:

2-(o-carboxybenzoyl)dibenzothiophene

6,6a,12a,13-Tetrahydroanthra<2,3-b>benzothiophen-7,12-dion

2,3-Bis(bromomethyl)benzothiophene

Benzo[b]thiophene

Downstream raw materials:

C₃₂H₂₀O₂S

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