6-Bromobenzofuran

Base Information

• Chemical Name: 6-Bromobenzofuran
• CAS No.: 128851-73-0
• Molecular Formula: C8H5BrO
• Molecular Weight: 197.031
• Hs Code.: 2932999099
• European Community (EC) Number: 820-196-9
• DSSTox Substance ID: DTXSID10569310
• Wikidata: Q72451626
• Mol file: 128851-73-0.mol

Synonyms:6-BROMOBENZOFURAN;128851-73-0;6-bromo-1-benzofuran;BENZOFURAN, 6-BROMO-;6-Bromo-benzofuran;6-Bromobenzofurane;MFCD08669477;6-Bromobenzo[b]furan;SCHEMBL103816;DTXSID10569310;BBXQYOQXGGJUFK-UHFFFAOYSA-N;AKOS006288300;CS-W005044;DS-6346;PB12534;SB10760;SY021975;AM20020372;EN300-84228;Z1198180633

Chemical Property of 6-Bromobenzofuran

Chemical Property:

• Boiling Point: 233.807 °C at 760 mmHg
• Flash Point: 95.203 °C
• PSA: 13.14000
• Density: 1.608 g/cm³
• LogP: 3.19530
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Dichloromethane, 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:

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

6-Bromo-benzofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CO2)Br

Technology Process of 6-Bromobenzofuran

There total 8 articles about 6-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: 32.0%

→ 6-bromo-benzofuran (128851-73-0)

Guidance literature:

With phosphorus pentoxide; In chlorobenzene; at 130 - 160 ℃; for 4.5h;

Reference yield:

2-(3-bromophenoxy)acetaldehyde diethyl acetal (204452-94-8) → 6-bromo-benzofuran (128851-73-0) + 7-bromobenzo(b)furan (133720-60-2)

Guidance literature:

With (1R,2S)-norephedrine; In toluene; Reflux;

upstream raw materials:

2-(3-bromophenoxy)acetaldehyde diethyl acetal

3-Bromophenol

Downstream raw materials:

benzofuran-6-sulfonamide

benzofuran-6-carboxaldehyde

1-(benzofuran-6-yl)ethan-1-one

benzo[b]furan-6-carbonitrile

Refernces

• 1、 -. "Pyrimidine or pyrazino five-membered heterocyclic compound and applications thereof". Paragraph 0214; 0219-0221. . Retrieved 2020/02/14.
• 2、 -. "Pyrido/pyridazocyclic compound and application thereof". Paragraph 0263; 0268-0270. . Retrieved 2019/12/25.