4-Bromodibenzothiophene

Base Information

• Chemical Name: 4-Bromodibenzothiophene
• CAS No.: 97511-05-2
• Molecular Formula: C12H7BrS
• Molecular Weight: 263.158
• Hs Code.: 2934208090
• European Community (EC) Number: 828-272-3
• DSSTox Substance ID: DTXSID50332505
• Nikkaji Number: J393.993F
• Wikidata: Q72454057
• Mol file: 97511-05-2.mol

Synonyms:4-Bromodibenzothiophene;97511-05-2;4-bromodibenzo[b,d]thiophene;Dibenzothiophene, 4-bromo-;MFCD02683746;Dibenzothiophene,4-bromo-;4-Bromodibenzo[b,d]thiophene;4-BROMODIbenzo[b]thiophene;SCHEMBL232632;dibenzo[b,d]thiophene, 4-bromo-;DTXSID50332505;AMY31675;GEO-02665;AKOS016008829;CS-W022120;DS-4628;SY030030;B4449;FT-0699275;(R)-3-CHLORO-2-METHYLPROPIONYLCHLORIDE;W-200538;Dibenzothiophene, 4-romo-

Chemical Property of 4-Bromodibenzothiophene

Chemical Property:

• Melting Point: 85.0 to 89.0 °C
• Boiling Point: 386.6 °C at 760 mmHg
• Flash Point: 187.6 °C
• PSA: 28.24000
• Density: 1.611 g/cm³
• LogP: 4.81700
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 261.94518
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

99%, ^*data from raw suppliers

4-Bromodibenzothiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)Br

Technology Process of 4-Bromodibenzothiophene

There total 4 articles about 4-Bromodibenzothiophene 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: 95.0%

dibenzothiophene (132-65-0) → 4-bromodibenzothiophene (97511-05-2)

Guidance literature:

dibenzothiophene; With n-butyllithium; In tetrahydrofuran; at -40 - 0 ℃; for 7h;

With ethylene dibromide; In tetrahydrofuran; at -78 - 20 ℃; for 12h;

Reference yield: 88.0%

3-bromo-2-(methylsulfinyl)-1,1‘-biphenyl → 4-bromodibenzothiophene (97511-05-2)

Guidance literature:

3-bromo-2-(methylsulfinyl)-1,1‘-biphenyl; With trifluoroacetic acid; at 20 ℃; for 24h;

With pyridine; In water; for 0.5h; Reflux;

Reference yield:

biphenyl (92-52-4,1594-86-1) → 4-bromodibenzothiophene (97511-05-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminium chloride; sulfur

2: butyl lithium; diethyl ether / Behandeln der Reaktionsloesung mit Brom-Dampf in Stickstoff-Strom

With n-butyllithium; aluminium trichloride; diethyl ether; sulfur;

DOI:10.1021/jo01219a003

upstream raw materials:

dibenzothiophene

biphenyl

Downstream raw materials:

dibenzo[b,d]thiophene-4-amine

N-(3-(1,3-dioxolan-2-yl)phenyl)dibenzo[b,d]thiophen-4-amine

4-dibenzothiophene boronic acid

2-(dibenzo[b,d]thiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Refernces

• 1、 -. "COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF". Paragraph 0093; 0094. . Retrieved 2018/03/30.
• 2、 -. "COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF". Paragraph 0145-0147. . Retrieved 2017/06/23.