3,7-Dibromodibenzothiophene 5,5-dioxide

Base Information

• Chemical Name: 3,7-Dibromodibenzothiophene 5,5-dioxide
• CAS No.: 83834-12-2
• Molecular Formula: C12H6Br2
• Molecular Weight: 374.052
• European Community (EC) Number: 684-966-4
• Nikkaji Number: J2.213.959B
• Mol file: 83834-12-2.mol

Synonyms:83834-12-2;3,7-Dibromodibenzo[b,d]thiophene 5,5-dioxide;3,7-dibromodibenzothiophene 5,5-dioxide;3,7-dibromodibenzothiophene dioxide;3,7-Dibromodibenzo[b,d]thiophene5,5-dioxide;SCHEMBL1326395;YSZC1952;LUDZJVZEBHTEBB-UHFFFAOYSA-N;MFCD00227704;AKOS024428464;3,7-dibromodibenzothiophene-5,5-dioxide;3,7-dibromodibenzothiophene-S,S-dioxide;AS-83308;3,7-Dibromo-dibenzothiophene 5,5-dioxide

Chemical Property of 3,7-Dibromodibenzothiophene 5,5-dioxide

Chemical Property:

• Melting Point: 312 °C
• Boiling Point: 521.4±43.0 °C(Predicted)
• PSA: 42.52000
• Density: 1.997±0.06 g/cm3(Predicted)
• LogP: 5.10560
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 373.84348
• Heavy Atom Count: 17
• Complexity: 371

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,7-DIBROMO-DIBENZOTHIOPHENE 5,5-DIOXIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,7-Dibromodibenzothiophene 5,5-dioxide

There total 2 articles about 3,7-Dibromodibenzothiophene 5,5-dioxide 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: 65.0%

dibenzothiophene sulfone (1016-05-3) → 3-bromo-dibenzo[b,d]thiophene 5,5-dioxide (116668-69-0) + 3,7-dibromo-dibenzothiophene-5,5-dioxide (83834-12-2)

Guidance literature:

With N-Bromosuccinimide; sulfuric acid; at 70 ℃; for 24h; Inert atmosphere; Darkness;

DOI:10.1039/c8ta11383a

Reference yield:

3,7-dibenzothiophenediamine, 5,5-dioxide (6259-19-4) → 3,7-dibromo-dibenzothiophene-5,5-dioxide (83834-12-2)

Guidance literature:

With hydrogenchloride; copper(I) bromide; sodium nitrite;

Reference yield: 87.0%

3,7-dibromo-dibenzothiophene-5,5-dioxide (83834-12-2) + 9,9-dioctylfluorene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) (302554-81-0) → 3,7-bis(9,9-dioctyl-9H-fluoren-2-yl)dibenzo[b,d]thiophene-5,5-dioxide (1619226-10-6)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In water; toluene; at 90 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.dyepig.2019.03.059

upstream raw materials:

3,7-dibenzothiophenediamine, 5,5-dioxide

dibenzothiophene sulfone

Downstream raw materials:

3,7-dibenzothiophenediamine, 5,5-dioxide

3,7-dibromodibromodibenzo[b,d]thiophene

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

3,7-bis-benzoylamino-dibenzothiophene-5,5-dioxide

Refernces

• 1、 Aitchison, Catherine M.,Sprick, Reiner Sebastian,Cooper, Andrew I.. "Emulsion polymerization derived organic photocatalysts for improved light-driven hydrogen evolution". supporting information. p. 2490 - 2496. Retrieved 2019/02/12.