4-Methylbenzofuran

Base Information

• Chemical Name: 4-Methylbenzofuran
• CAS No.: 5670-23-5
• Molecular Formula: C9H8 O
• Molecular Weight: 132.162
• Hs Code.: 2932999099
• European Community (EC) Number: 227-130-2
• DSSTox Substance ID: DTXSID10205261
• Nikkaji Number: J225.085C
• Wikidata: Q83078771
• Mol file: 5670-23-5.mol

Synonyms:4-Methylbenzofuran;5670-23-5;4-methyl-1-benzofuran;EINECS 227-130-2;Benzofuran, 4-methyl-;4-methylbenzo[b]furan;SCHEMBL289215;DTXSID10205261;AKOS006370994

Chemical Property of 4-Methylbenzofuran

Chemical Property:

• Boiling Point: 196.1°Cat760mmHg
• Flash Point: 71.4°C
• PSA: 13.14000
• Density: 1.077g/cm³
• LogP: 2.74120
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.057514874
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

4-Methylbenzofuran 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=COC2=CC=C1

Technology Process of 4-Methylbenzofuran

There total 11 articles about 4-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: 75.0%

7-bromo-4-methylbenzofuran (799766-13-5) → 4-methyl-benzofuran (5670-23-5)

Guidance literature:

7-bromo-4-methylbenzofuran; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

With calcium hydride; at 80 - 110 ℃;

Reference yield: 2.7%

furan (110-00-9) + 2-methylfuran (534-22-5) → 1-benzofurane (271-89-6) + 7-methylbenzofuran (17059-52-8) + 4-methyl-benzofuran (5670-23-5) + 2,7-dimethylbenzofuran (59020-74-5) + 2-methylbenzofuran (4265-25-2)

Guidance literature:

With aluminum (III) chloride; acetic acid; In water; at 140 ℃; for 3h;

Reference yield:

3-methylphenoxyacetaldehyde diethyl acetal (58042-45-8) → 6-methyl benzofuran (17059-51-7) + 4-methyl-benzofuran (5670-23-5)

Guidance literature:

With tin-exchanged H-b zeolite (Sn-b); for 0.5h; Overall yield = 91 %; Reflux;

DOI:10.1016/j.tet.2015.05.029

upstream raw materials:

4-methylbenzofuran-2-carboxylic acid

2-hydroxy-6-methylbenzaldehyde

3-methyl-phenol

3-methylphenoxyacetaldehyde diethyl acetal

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