2-Methyl-4,5,6,7-tetrahydrobenzofuran

Base Information

• Chemical Name: 2-Methyl-4,5,6,7-tetrahydrobenzofuran
• CAS No.: 17392-08-4
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• DSSTox Substance ID: DTXSID00483430
• Nikkaji Number: J2.853.339J
• Wikidata: Q82320768
• Mol file: 17392-08-4.mol

Synonyms:2-Methyl-4,5,6,7-tetrahydrobenzofuran;17392-08-4;Benzofuran, 4,5,6,7-tetrahydro-2-methyl-;SCHEMBL10160746;DTXSID00483430;AKOS015905276;2-methyl-4,5,6,7-tetrahydro-benzofuran;2-methyl-4,5,6,7-tetrahydro-1-benzofuran

Chemical Property of 2-Methyl-4,5,6,7-tetrahydrobenzofuran

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(O1)CCCC2

Technology Process of 2-Methyl-4,5,6,7-tetrahydrobenzofuran

There total 1 articles about 2-Methyl-4,5,6,7-tetrahydrobenzofuran 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:

1-(2-(trimethylsilyloxy)-1(Z)-cyclohexen-1-yl)-propanone (83686-90-2) → 2-methyl-4,5,6,7-tetrahydrobenzofuran (17392-08-4) + 4,5,6,7-tetrahydro-3-methylbenzofuran (1919-00-2)

Guidance literature:

at 800 ℃; under 0.1 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts; packed quartz tube;

DOI:10.1016/0040-4020(82)80222-6

Reference yield: 80.0%

2-methyl-4,5,6,7-tetrahydrobenzofuran (17392-08-4) → 1-Acetoxy-2-formyl-cyclohexen (14713-97-4)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; for 1.5h;

DOI:10.1021/jo00163a039

Reference yield: 77.0%

2-methyl-4,5,6,7-tetrahydrobenzofuran (17392-08-4) → 1-Acetoxy-2-formyl-cyclohexen (14713-97-4) + 2-[2-Oxo-prop-(Z)-ylidene]-cyclohexanone (86014-43-9)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 25 ℃; for 3h;

DOI:10.1021/jo00163a039

upstream raw materials:

1-(2-(trimethylsilyloxy)-1(Z)-cyclohexen-1-yl)-propanone

Downstream raw materials:

2-(2-oxopropyl)cyclohexanone

1-Acetoxy-2-formyl-cyclohexen

2-[2-Oxo-prop-(Z)-ylidene]-cyclohexanone

Acetic acid 2-formyloxy-cyclohex-1-enyl ester