6-(1-Adamantyl)-3-methylphenol

Base Information

• Chemical Name: 6-(1-Adamantyl)-3-methylphenol
• CAS No.: 41031-51-0
• Molecular Formula: C₁₇H₂₂O
• Molecular Weight: 242.361
• DSSTox Substance ID: DTXSID101250653
• Mol file: 41031-51-0.mol

Synonyms:SCHEMBL11702433;6-(1-adamantyl)-3-methylphenol;DTXSID101250653;5-methyl-2-tricyclo[3.3.1.13,7]dec-1-ylphenol;41031-51-0

Chemical Property of 6-(1-Adamantyl)-3-methylphenol

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 242.167065321
• Heavy Atom Count: 18
• Complexity: 293

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C23CC4CC(C2)CC(C4)C3)O

Technology Process of 6-(1-Adamantyl)-3-methylphenol

There total 3 articles about 6-(1-Adamantyl)-3-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: 94.0%

1-adamanthanol (768-95-6) + 3-methyl-phenol (108-39-4) → 2-(1-adamantyl)-5-methylphenol (41031-51-0)

Guidance literature:

With Amberlite 200 (H⁺ form); In acetic acid; at 100 ℃; for 2h;

DOI:10.3762/bjoc.8.23

Reference yield:

1-chloroadamantane (935-56-8) + 3-methyl-phenol (108-39-4) → 2-(1-adamantyl)-5-methylphenol (41031-51-0)

Guidance literature:

DOI:10.1021/jm00241a015

Reference yield:

1-Adamantyl bromide (768-90-1) + 3-methyl-phenol (108-39-4) → 1-m-tolyloxy-adamantane + 2-(1-adamantyl)-5-methylphenol (41031-51-0)

Guidance literature:

With pyridine; Heating;

DOI:10.1139/v05-117

upstream raw materials:

1-chloroadamantane

3-methyl-phenol

1-Adamantyl bromide

1-adamanthanol

Downstream raw materials:

5-Methyl-2-(1-adamantyl)-cyclohexanol