3,7-Dibromodibenzo[b,d]thiophene

Base Information

• Chemical Name: 3,7-Dibromodibenzo[b,d]thiophene
• CAS No.: 83834-10-0
• Molecular Formula: C₁₂H₆Br₂S
• Molecular Weight: 342.054
• DSSTox Substance ID: DTXSID20355504
• Nikkaji Number: J2.996.154I
• Wikidata: Q72464099
• Mol file: 83834-10-0.mol

Synonyms:3,7-Dibromodibenzo[b,d]thiophene;83834-10-0;3,7-dibromodibenzothiophene;3,7-Dibromo-dibenzothiophene;3,7-dibromobenzo[b]benzo[b]thiophene;SCHEMBL205544;YSCH0188;DTXSID20355504;KMNBVODPWIFUSS-UHFFFAOYSA-N;MFCD01027447;AKOS000583305;AS-59023;CS-0155766;D4274;A864207;5,11-DIBROMO-8-THIATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),3,5,10,12-HEXAENE

Chemical Property of 3,7-Dibromodibenzo[b,d]thiophene

Chemical Property:

• Melting Point: 176℃
• Boiling Point: 436.5±25.0 °C(Predicted)
• Density: 1.905±0.06 g/cm3(Predicted)
• 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:

97% ^*data from raw suppliers

3,7-Dibromodibenzo[b,d]thiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)SC3=C2C=CC(=C3)Br

Technology Process of 3,7-Dibromodibenzo[b,d]thiophene

There total 11 articles about 3,7-Dibromodibenzo[b,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: 88.0%

4,4'-dibromo-[1,1'-biphenyl]-2-thiol → 3,7-dibromodibromodibenzo[b,d]thiophene (83834-10-0)

Guidance literature:

With palladium dichloride; In dimethyl sulfoxide; at 140 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.8b02347

Reference yield: 79.0%

dibenzothiophene (132-65-0) → 3,7-dibromodibromodibenzo[b,d]thiophene (83834-10-0)

Guidance literature:

With bromine; In chloroform; at 0 - 20 ℃; for 13h;

DOI:10.1021/ma500080s

Reference yield: 78.6%

3,7-diaminodibenzothiophene dihydrochloride → 3,7-dibromodibromodibenzo[b,d]thiophene (83834-10-0)

Guidance literature:

3,7-diaminodibenzothiophene dihydrochloride; With hydrogenchloride; sodium nitrite; In water; at 5 ℃; for 0.75h;

With hydrogen bromide; copper(I) bromide; In water; for 2h; Heating;

DOI:10.1016/S0223-5234(00)80027-6

upstream raw materials:

3,7-dibromo-dibenzothiophene-5,5-dioxide

dibenzothiophene sulfone

biphenyl

4-(4-bromophenyl)bromobenzene

Downstream raw materials:

3,7-bis[2-(methylsulfinyl)phenyl]dibenzothiophene