4-Bromobenzofuran

Base Information

• Chemical Name: 4-Bromobenzofuran
• CAS No.: 128868-60-0
• Molecular Formula: C8H5BrO
• Molecular Weight: 197.031
• Hs Code.: 2932999099
• European Community (EC) Number: 802-889-8
• DSSTox Substance ID: DTXSID00569309
• Wikidata: Q82456435
• Mol file: 128868-60-0.mol

Synonyms:4-BROMOBENZOFURAN;128868-60-0;4-BROMO-1-BENZOFURAN;Benzofuran, 4-bromo-;MFCD09056755;4-bromo-benzofuran;4-bromo-benzofurane;SCHEMBL505984;DTXSID00569309;YFKGZOJEQUDHAD-UHFFFAOYSA-N;AMY42460;AKOS006332490;PB17600;NS-01969;SY021970;CS-0054114;EN300-78744;W-205303;Z1198184786

Chemical Property of 4-Bromobenzofuran

Chemical Property:

• Vapor Pressure: 0.084mmHg at 25°C
• Boiling Point: 233.807°C at 760 mmHg
• Flash Point: 95.203°C
• PSA: 13.14000
• Density: 1.608g/cm³
• LogP: 3.19530
• Storage Temp.: 2-8°C
• Solubility.: Acetone, Chloroform, Ethyl Acetate
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 195.95238
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

4-Bromobenzofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CO2)C(=C1)Br
• Uses: 4-Bromobenzofuran can be used in the preparation of aminoalkylbenzofurans as 5-HT2C agonists used as antiobesity and antidepressant

Technology Process of 4-Bromobenzofuran

There total 21 articles about 4-Bromobenzofuran 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: 46.0%

2-(3-bromophenoxy)acetaldehyde diethyl acetal (204452-94-8) → 6-bromo-benzofuran (128851-73-0) + 4-bromo-1-benzofuran (128868-60-0)

Guidance literature:

With polyphosphoric acid (PPA); In toluene; at 20 ℃; for 4h; Inert atmosphere; Reflux;

DOI:10.1016/j.phytochem.2013.08.013

Reference yield: 42.0%

3-Bromophenol (591-20-8) + Bromoacetaldehyde diethyl acetal (2032-35-1) → 4-bromo-1-benzofuran (128868-60-0)

Guidance literature:

With potassium carbonate; In toluene; at 100 ℃; for 12h;

Reference yield: 35.0%

2-(2,6-dibromophenyl)acetaldehyde (76574-33-9) → 4-bromo-1-benzofuran (128868-60-0)

Guidance literature:

With potassium phosphate; copper(l) iodide; In N,N-dimethyl-formamide; at 70 ℃; for 2h; Inert atmosphere;

upstream raw materials:

2-(3-bromophenoxy)acetaldehyde diethyl acetal

3-Bromophenol

2-hydroxybromobenzene

2-bromo-4,5-difluorophenol

Downstream raw materials:

benzofuran-4-carbonitrile

Refernces

• 1、 -. "Bipolar fluorescent material based on benzoquinary heterocyclic ring and preparation method thereof and organic electroluminescent device". Paragraph 0071-0075. . Retrieved 2022/01/08.
• 2、 -. "NAPHTHYRIDINE DERIVATIVES AS PRC2 INHIBITORS". . . Retrieved 2020/11/03.