4,6-Dibromodibenzothiophene

Base Information

• Chemical Name: 4,6-Dibromodibenzothiophene
• CAS No.: 669773-34-6
• Molecular Formula: C12H6Br2S
• Molecular Weight: 342.0476
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60412943
• Nikkaji Number: J1.992.156E
• Wikidata: Q72464092
• Mol file: 669773-34-6.mol

Synonyms:4,6-Dibromodibenzo[b,d]thiophene;669773-34-6;4,6-dibromodibenzothiophene;4,6-DibroMo-Dibenzothiophene;Dibenzothiophene, 4,6-dibromo-;4,6-dibromo dibenzothiophene;SCHEMBL11933059;AMY1109;DTXSID60412943;ULGFJZPCGNTWFK-UHFFFAOYSA-N;BCP14080;MFCD18451473;AKOS016008842;DS-4592;SB67105;CS-0135835;D4822;FT-0698786;A51125;A847264;J-514111

Chemical Property of 4,6-Dibromodibenzothiophene

Chemical Property:

• Melting Point: 184.0 to 188.0 °C
• Boiling Point: 436.5±25.0 °C(Predicted)
• PSA: 28.24000
• Density: 1.905±0.06 g/cm3(Predicted)
• LogP: 5.57950
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 341.85365
• Heavy Atom Count: 15
• Complexity: 222

Purity/Quality:

99%, ^*data from raw suppliers

4,6-Dibromodibenzothiophene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)Br)SC3=C2C=CC=C3Br

Technology Process of 4,6-Dibromodibenzothiophene

There total 2 articles about 4,6-Dibromodibenzothiophene 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: 89.0%

4,6-bis(trimethylsilyl)dibenzothiophene → 4,6-dibromodibenzo[b,d]thiophene (669773-34-6)

Guidance literature:

With bromine; In tetrachloromethane; at -15 - 0 ℃; for 1h;

Reference yield:

dibenzothiophene (132-65-0) → 4,6-dibromodibenzo[b,d]thiophene (669773-34-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: N,N,N,N,-tetramethylethylenediamine; n-butyllithium / hexane / 3 h / 0 - 60 °C

1.2: 1 h / -70 °C

2.1: bromine / tetrachloromethane / 1 h / -15 - 0 °C

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; bromine; In tetrachloromethane; hexane;

Reference yield:

4,6-dibromodibenzo[b,d]thiophene (669773-34-6) → C24H14N2O4S

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / hexane; tetrahydrofuran / 1 h / -78 - 0 °C

1.2: 12 h / -78 - 20 °C

2.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / tetrahydrofuran; water / 24 h / Reflux

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; potassium carbonate; In tetrahydrofuran; hexane; water;

upstream raw materials:

dibenzothiophene

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