5-Bromo-3-methylbenzofuran

Base Information

• Chemical Name: 5-Bromo-3-methylbenzofuran
• CAS No.: 33118-85-3
• Molecular Formula: C9H7BrO
• Molecular Weight: 211.05500
• Hs Code.: 2932999099
• European Community (EC) Number: 844-952-2
• DSSTox Substance ID: DTXSID20491577
• Wikidata: Q82336303
• Mol file: 33118-85-3.mol

Synonyms:5-bromo-3-methylbenzofuran;33118-85-3;5-BROMO-3-METHYL-1-BENZOFURAN;BENZOFURAN, 5-BROMO-3-METHYL-;MFCD09836519;5-bromo-3-methyl-benzofuran;SCHEMBL789581;DTXSID20491577;MRQQUDYWELWUQO-UHFFFAOYSA-N;BCP34551;AKOS005067593;MB07839;AS-19626;SY027158;CS-0130322;FT-0741738;EN300-204964;A875423;Z1269218033

Chemical Property of 5-Bromo-3-methylbenzofuran

Chemical Property:

• Vapor Pressure: 0.019mmHg at 25°C
• Boiling Point: 261.096oC at 760 mmHg
• Flash Point: 111.707oC
• PSA: 13.14000
• Density: 1.521g/cm3
• LogP: 3.50370
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 209.96803
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-3-methylbenzofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=COC2=C1C=C(C=C2)Br

Technology Process of 5-Bromo-3-methylbenzofuran

There total 9 articles about 5-Bromo-3-methylbenzofuran 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: 99.4%

(2-acetyl-4-bromophenoxy)acetic acid (34849-51-9) → 5-bromo-3-methyl-1-benzofuran (33118-85-3)

Guidance literature:

With sodium acetate; acetic anhydride;

DOI:10.1039/b710935k

Reference yield:

Acetic acid 4-bromo-2-(2-methyl-oxiranyl)-phenyl ester (73444-59-4) → 5-bromo-3-methyl-1-benzofuran (33118-85-3) + Acetic acid (E)-2-(5-bromo-2-hydroxy-phenyl)-propenyl ester (73444-63-0)

Guidance literature:

at 160 ℃; for 1h;

Reference yield:

(2-acetyl-4-bromophenoxy)acetic acid ethyl ester (34849-50-8) → 5-bromo-3-methyl-1-benzofuran (33118-85-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / 1N aq. NaOH / tetrahydrofuran / 3.5 h / Ambient temperature

2: 71 percent / NaOAc, Ac₂O / 17 h / Heating

With sodium hydroxide; sodium acetate; acetic anhydride; In tetrahydrofuran;

DOI:10.1016/S0968-0896(96)00244-1

upstream raw materials:

Acetic acid (E)-2-(5-bromo-2-hydroxy-phenyl)-propenyl ester

Acetic acid 4-bromo-2-(2-methyl-oxiranyl)-phenyl ester

(2-acetyl-4-bromophenoxy)acetic acid

(2-acetyl-4-bromophenoxy)acetic acid ethyl ester

Downstream raw materials:

5-[2-(3-Methyl-benzofuran-5-yl)-phenyl]-1-trityl-1H-tetrazole

5-[2-(3-Bromomethyl-benzofuran-5-yl)-phenyl]-1-trityl-1H-tetrazole

5-[2-(2-Bromo-3-bromomethyl-benzofuran-5-yl)-phenyl]-1-trityl-1H-tetrazole

1-(5-bromo-3-methylbenzofuran-2-yl)ethanone