4,5,6,7-Tetrahydro-3-methylbenzofuran

Base Information

• Chemical Name: 4,5,6,7-Tetrahydro-3-methylbenzofuran
• CAS No.: 1919-00-2
• Molecular Formula: C₉H₁₂O
• Molecular Weight: 136.194
• DSSTox Substance ID: DTXSID00172736
• Nikkaji Number: J47.622F
• Wikidata: Q63396567
• Mol file: 1919-00-2.mol

Synonyms:4,5,6,7-Tetrahydro-3-methylbenzofuran;Benzofuran, 4,5,6,7-tetrahydro-3-methyl-;1919-00-2;3-methyl-4,5,6,7-tetrahydro-benzofuran;SCHEMBL13021602;DTXSID00172736;AKOS015905137;Q63396567

Chemical Property of 4,5,6,7-Tetrahydro-3-methylbenzofuran

Chemical Property:

• Vapor Pressure: 0.482mmHg at 25°C
• Boiling Point: 199.5°Cat760mmHg
• Flash Point: 70°C
• Density: 1.006g/cm³
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=COC2=C1CCCC2

Technology Process of 4,5,6,7-Tetrahydro-3-methylbenzofuran

There total 25 articles about 4,5,6,7-Tetrahydro-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: 95.0%

2-Methoxy-3-methyl-2,4,5,6,7,7a-hexahydro-benzofuran → 4,5,6,7-tetrahydro-3-methylbenzofuran (1919-00-2)

Guidance literature:

With toluene-4-sulfonic acid; for 0.25h; Ambient temperature;

DOI:10.1039/c39940000303

Reference yield: 80.0%

4-Methyl-3,5,6,7,8,8a-hexahydro-benzo[c][1,2]dioxine (63159-76-2) → 4,5,6,7-tetrahydro-3-methylbenzofuran (1919-00-2)

Guidance literature:

With iron(II) sulfate; In tetrahydrofuran; water;

DOI:10.1021/jo00205a013

Reference yield: 72.0%

2,4,5,6,7,7a-Hexahydro-3-methyl-1-benzofuran-2-on (15174-78-4) → 4,5,6,7-tetrahydro-3-methylbenzofuran (1919-00-2)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; at -25 ℃;

DOI:10.1016/S0040-4039(03)01172-9

upstream raw materials:

2-Bromo-1-methoxy-1-prop-2-ynyloxy-cyclohexane

2-Bromo-1-ethoxy-1-prop-2-ynyloxy-cyclohexane

2,4,5,6,7,7a-Hexahydro-3-methyl-1-benzofuran-2-on

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

Downstream raw materials:

(RS)-3-methyl-7a-hydroxy-4,5,6,7-tetrahydro-7aH-benzofuran-2-one