3-Benzyl-2-methylphenol

Base Information

• Chemical Name: 3-Benzyl-2-methylphenol
• CAS No.: 31040-76-3
• Molecular Formula: C₁₄H₁₄O
• Molecular Weight: 198.265
• European Community (EC) Number: 853-417-2
• Mol file: 31040-76-3.mol

Synonyms:3-benzyl-2-methylphenol;31040-76-3;Benzylkresole;SCHEMBL5648473;VWABHBWUNQRWAE-UHFFFAOYSA-N;EN300-9551404

Chemical Property of 3-Benzyl-2-methylphenol

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 198.104465066
• Heavy Atom Count: 15
• Complexity: 184

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=CC=C1O)CC2=CC=CC=C2

Technology Process of 3-Benzyl-2-methylphenol

There total 3 articles about 3-Benzyl-2-methylphenol 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: 80.0%

(3-hydroxy-2-methylphenyl)(phenyl)methanone (74167-87-6) → 3-benzyl-2-methylphenol (31040-76-3)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In dichloromethane; at 0 ℃; for 3h; Heating / reflux;

Reference yield: 60.0%

C30H40O3Si (1229591-95-0) → 2-benzyl-6-methylphenol (1208-45-3) + 3-benzyl-2-methylphenol (31040-76-3)

Guidance literature:

With rhenium(I) pentacarbonyl bromide; sodium hydrogencarbonate; In toluene; at 20 ℃; Inert atmosphere; Irradiation;

DOI:10.1002/chem.200903586

Reference yield:

→ 3-benzyl-2-methylphenol (31040-76-3)

Guidance literature:

3-Ethoxy-2-methylcyclohexanon;

DOI:10.1021/ja00724a025

upstream raw materials:

(3-hydroxy-2-methylphenyl)(phenyl)methanone

C₃₀H₄₀O₃Si

Downstream raw materials:

4-benzyl-2-hydroxy-3-methylbenzaldehyde