Benzo[b]phenanthro[3,2-d]thiophene

Base Information

• Chemical Name: Benzo[b]phenanthro[3,2-d]thiophene
• CAS No.: 241-32-7
• Molecular Formula: C₂₀H₁₂S
• Molecular Weight: 284.381
• DSSTox Substance ID: DTXSID10178825
• Wikidata: Q83049305
• Mol file: 241-32-7.mol

Synonyms:Benzo[b]phenanthro[3,2-d]thiophene;Benzo(b)phenanthro(3,2-d)thiophene;241-32-7;9-Thianaphtho(2',1',2,3)fluorene;DTXSID10178825;KBDUMZXQRUCDSI-UHFFFAOYSA-N

Chemical Property of Benzo[b]phenanthro[3,2-d]thiophene

Chemical Property:

• Vapor Pressure: 1.61E-10mmHg at 25°C
• Melting Point: 141-142 °C(Solv: ethanol (64-17-5))
• Boiling Point: 523.2°Cat760mmHg
• Flash Point: 205.1°C
• PSA: 28.24000
• Density: 1.32g/cm³
• LogP: 6.36090
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 284.06597156
• Heavy Atom Count: 21
• Complexity: 391

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)C5=CC=CC=C5S4

Technology Process of Benzo[b]phenanthro[3,2-d]thiophene

There total 7 articles about Benzo[b]phenanthro[3,2-d]thiophene 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: 63.0%

Dichloromethyl methyl ether (4885-02-3) + 2-(2-naphthylmethyl)benzothiophene (87642-96-4) → benzophenanthro<3,2-d>thiophene (241-32-7)

Guidance literature:

tin(IV) chloride;

Reference yield:

3-(2-methyl-1-naphthoyl)benzothiophene (91704-76-6) → Benzophenanthro<3,4-d>thiophene (82255-65-0) + Benzophenanthro<2,1-d>thiophene (55969-62-5) + benzophenanthro<3,2-d>thiophene (241-32-7) + benzophenanthro<3,4-d>thiophene-5,6-dione (344552-07-4)

Guidance literature:

at 430 - 440 ℃; for 0.25h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1002/jhet.5570210217

Reference yield:

3-(2-methyl-1-naphthoyl)benzothiophene (91704-76-6) → benzophenanthro<3,2-d>thiophene (241-32-7)

Guidance literature:

at 450 ℃;

upstream raw materials:

3-(2-methyl-1-naphthoyl)benzothiophene

Dichloromethyl methyl ether

2-(2-naphthylmethyl)benzothiophene

3-(1-naphthoyl)-2-methylbenzothiophene

Downstream raw materials:

2-(2-formylphenyl)-3-dibenzothiophenecarboxaldehyde

Refernces

• 1、 Tedjamulia, Marvin L.,Tominaga, Yoshinori,Castle, Raymond N.,Lee, Milton L.. "The Synthesis of Benzophenathrothiophenes and Anthrabenzothiophenes". . p. 861 - 866. Retrieved 2007/10/02.