3,3'-Bibenzo[b]thiophene

Base Information

• Chemical Name: 3,3'-Bibenzo[b]thiophene
• CAS No.: 40306-93-2
• Molecular Formula: C16H10S2
• Molecular Weight: 266.387
• DSSTox Substance ID: DTXSID00441510
• Nikkaji Number: J89.351J
• Wikidata: Q82258299
• Mol file: 40306-93-2.mol

Synonyms:3,3'-Bibenzo[b]thiophene;40306-93-2;3,3'-bis[1-benzothiophene];3,3//'-Bibenzo[b]thiophene;3-(1-BENZOTHIOPHEN-3-YL)-1-BENZOTHIOPHENE;3,3'-dibenzothiophene;3,3/'-Bibenzo[b]thiophene;SCHEMBL4381193;DTXSID00441510;AA-516/25012119

Chemical Property of 3,3'-Bibenzo[b]thiophene

Chemical Property:

• PSA: 56.48000
• LogP: 5.78300
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 266.02239267
• Heavy Atom Count: 18
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CS2)C3=CSC4=CC=CC=C43

Technology Process of 3,3'-Bibenzo[b]thiophene

There total 4 articles about 3,3'-Bibenzo[b]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: 50.0%

benzo[b]thiophen-3-yl-3-boronic acid (113893-08-6) + Boc-(E)-ΔAla{β-[2-(4-bromophenyl)ethynyl]}-OMe (805230-79-9) → 3-(3-benzothienyl)benzothiophen (40306-93-2) + Boc-(E)-ΔAla(β-{2-[4-(benzo[b]thien-3-yl)phenyl]ethynyl})-OMe

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; at 90 ℃; for 3h;

DOI:10.1002/ejoc.200400145

Reference yield: 45.0%

3-Bromothianaphthene (7342-82-7) + 4-hexylaniline (33228-45-4) → 3-aminobenzo[b]thiophene (17402-82-3) + 3-(3-benzothienyl)benzothiophen (40306-93-2) + N-(p-hexylphenyl)-N-(2'-benzo[b]thienyl)-3-aminobenzo[b]thiophene (1174151-90-6)

Guidance literature:

With palladium diacetate; sodium t-butanolate; tri tert-butylphosphoniumtetrafluoroborate; In toluene; for 5h; Inert atmosphere; Reflux;

DOI:10.1021/ol901133m

Reference yield: 40.0%

3-Bromothianaphthene (7342-82-7) + N-butylamine (109-73-9,85404-21-3) → 3-aminobenzo[b]thiophene (17402-82-3) + 3-(3-benzothienyl)benzothiophen (40306-93-2) + N-butyl-N-(2'-benzo[b]thienyl)-3-aminobenzo[b]thiophene (1174151-89-3)

Guidance literature:

With palladium diacetate; sodium t-butanolate; tri tert-butylphosphoniumtetrafluoroborate; In toluene; for 5h; Inert atmosphere; Reflux;

DOI:10.1021/ol901133m

upstream raw materials:

3-iodobenzo[b]thiophene

diethyl ether

benzo[b]thiophen-3-yl-3-boronic acid

Boc-(E)-ΔAla{β-[2-(4-bromophenyl)ethynyl]}-OMe

Downstream raw materials:

2,2'-Bis-diphenylphosphanyl-[3,3']bi[benzo[b]thiophenyl]

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