3-Chloro-2,4,6-trimethylphenol

Base Information

• Chemical Name: 3-Chloro-2,4,6-trimethylphenol
• CAS No.: 1667-05-6
• Molecular Formula: C₉H₁₁ClO
• Molecular Weight: 170.639
• DSSTox Substance ID: DTXSID901305256
• Mol file: 1667-05-6.mol

Synonyms:3-chloro-2,4,6-trimethylphenol;Oxymesitylchlorid;1667-05-6;SCHEMBL7037192;DTXSID901305256

Chemical Property of 3-Chloro-2,4,6-trimethylphenol

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 170.0498427
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1O)C)Cl)C

Technology Process of 3-Chloro-2,4,6-trimethylphenol

There total 10 articles about 3-Chloro-2,4,6-trimethylphenol 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: 68.0%

methanol (67-56-1) + Mesitol (527-60-6) → 3-chloro-2,4,6-trimethylphenol (1667-05-6) + 4-methoxy-2,4,6-trimethyl-2,5-cyclohexadien-1-one (38876-36-7)

Guidance literature:

With chlorine; In dichloromethane; -60 deg C -> room temperature;

Reference yield:

4-bromo-2,4,6-trimethylcyclohexa-2,5-dienone (87025-08-9) → 2,4,6-trimethyl-3-bromophenol (57894-26-5) + 3-chloro-2,4,6-trimethylphenol (1667-05-6)

Guidance literature:

With hydrogenchloride; In diethyl ether; at -40 ℃; for 0.166667h;

Reference yield:

Mesitol (527-60-6) → 4-chloro-2,4,6-trimethylcyclohexa-2,5-dienone (70264-66-3) + 3-chloro-2,4,6-trimethylphenol (1667-05-6)

Guidance literature:

With chlorine; In dichloromethane; at 20 ℃; for 0.333333h; Yield given. Yields of byproduct given;

upstream raw materials:

3-chloro-2,4,6-trimethylaniline

methanol

Mesitol

4-chloro-2,4,6-trimethylcyclohexa-2,5-dienone

Downstream raw materials:

3,4-dichloro-2,4,6-trimethylcyclohexa-2,5-dienone

Refernces

• 1、 Bergquist, Karl-Erik,Nilsson, Anders,Ronlan, Alvin. "Electrophilic Chlorination of 4-Methylphenols with Molecular Chlorine. Synthesis of Dimethoxy Aromatics by Methanolysis of 4-Chloro-4-methylcyclcohexa-2,5-dienones". . p. 675 - 684. Retrieved 2007/10/02.