7-Methylbenzofuran

Base Information

• Chemical Name: 7-Methylbenzofuran
• CAS No.: 17059-52-8
• Molecular Formula: C9H8 O
• Molecular Weight: 132.162
• Hs Code.: 2932999099
• European Community (EC) Number: 241-123-1
• UNII: GZ7272436A
• DSSTox Substance ID: DTXSID60168892
• Nikkaji Number: J109.265K
• Wikidata: Q27279367
• Mol file: 17059-52-8.mol

Synonyms:7-Methylbenzofuran;17059-52-8;7-Methyl-1-benzofuran;Benzofuran, 7-methyl-;7-methyl-benzofuran;7-Methylbenzo[b]furan;UNII-GZ7272436A;EINECS 241-123-1;GZ7272436A;7-Methyl-1-benzofuran #;SCHEMBL288996;DTXSID60168892;MFCD00138125;AKOS006275455;MB00742;MS-1751;CS-0328552;FT-0621459;AB-145/25000224;Q27279367

Chemical Property of 7-Methylbenzofuran

Chemical Property:

• Vapor Pressure: 0.693mmHg at 25°C
• Melting Point: 109°C
• Refractive Index: 1.5525
• 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

7-Methylbenzofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)C=CO2
• Uses: 7-Methylbenzofuran is an intermediate used to prepare mammalian target of rapamycin (mTOR) inhibitors.

Technology Process of 7-Methylbenzofuran

There total 14 articles about 7-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: 90.0%

2-methylphenoxyacetaldehyde dimethyl acetal (95333-18-9) → 7-methylbenzofuran (17059-52-8)

Guidance literature:

With phosphorus pentaoxide; phosphoric acid; In chlorobenzene; at 125 - 130 ℃; for 1h;

DOI:10.1039/P29840001479

Reference yield: 76.0%

1-(2,2-diethoxyethoxy)-2-methylbenzene (117516-63-9) → 7-methylbenzofuran (17059-52-8)

Guidance literature:

With PPA; In benzene; Heating;

Reference yield: 42.0%

6-<2-hydroxy-1-(isopropylthio)ethyl>-o-cresol (121045-21-4) → 7-methylbenzofuran (17059-52-8)

Guidance literature:

With hydrogenchloride; In 2-methoxy-ethanol; for 4h; Heating;

upstream raw materials:

1-(2,2-diethoxyethoxy)-2-methylbenzene

2-methylphenoxyacetaldehyde dimethyl acetal

6-<2-hydroxy-1-(isopropylthio)ethyl>-o-cresol

ortho-cresol

Downstream raw materials:

7-methyl-2-benzofurancarboxaldehyde

7-methyl-2-phenylbenzofuran

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