4-Methoxy-2,3,6-trimethylphenol

Base Information

• Chemical Name: 4-Methoxy-2,3,6-trimethylphenol
• CAS No.: 53651-61-9
• Molecular Formula: C10H14 O2
• Molecular Weight: 166.22
• NSC Number: 168489
• DSSTox Substance ID: DTXSID30304947
• Nikkaji Number: J401.775G
• Wikidata: Q82051301
• Mol file: 53651-61-9.mol

Synonyms:4-Methoxy-2,3,6-trimethylphenol;53651-61-9;4-Methoxy-2,3,6-trimethyl-phenol;NSC168489;SCHEMBL24407972;DTXSID30304947;SJIRRMZHJWPOCJ-UHFFFAOYSA-N;2,3,6-trimethyl-4-methoxyphenol;MFCD24713549;4-Methoxy-2,3,6-trimethylphenol #;AKOS022519819;NSC-168489;Phenol, 4-methoxy-2,3,6-trimethyl-

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

Chemical Property:

• Vapor Pressure: 0.00216mmHg at 25°C
• Boiling Point: 280.9°Cat760mmHg
• Flash Point: 136.1°C
• Density: 1.034g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 9 articles about 4-Methoxy-2,3,6-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: 98.0%

4-bromo-2,3,6-trimethylphenol (51857-41-1) + sodium methylate (124-41-4) → 1-methoxy-4-hydroxy-2,3,5-trimethylbenzene (53651-61-9)

Guidance literature:

With Methyl formate; copper(l) chloride; In methanol; at 110 ℃; for 2h; Autoclave;

DOI:10.1039/c4gc00003j

Reference yield: 52.5%

Trimethylhydroquinone (700-13-0) + dimethyl sulfate (77-78-1) → 1,4-dimethoxy-2,3,5-trimethyl-benzene (4537-09-1) + 1-methoxy-4-hydroxy-2,3,5-trimethylbenzene (53651-61-9)

Guidance literature:

With potassium carbonate; In acetone; for 48h; Heating;

DOI:10.1007/BF00473932

Reference yield: 15.0%

Trimethylhydroquinone (700-13-0) + methyl iodide (74-88-4) → 1-methoxy-4-hydroxy-2,3,5-trimethylbenzene (53651-61-9) + 4-methoxy-2,3,5-trimethylphenol (130422-86-5)

Guidance literature:

With potassium carbonate; In acetone; 1.) reflux, 6 h, 2.) 20-25 deg C, 2 d;

upstream raw materials:

Trimethylhydroquinone

methanol

1-ethylenedioxy-2,3,5-trimethyl-2,5-cyclohexadien-4-ol

dimethyl sulfate

Downstream raw materials:

(3-hydroxy-6-methoxy-2,4,5-trimethyl-benzyl)-acetoacetic acid

4-(3-hydroxy-6-methoxy-2,4,5-trimethyl-phenyl)-butan-2-one

2,3,5-Trimethyl-1,4-benzoquinone

3-chloromethyl-4-methoxy-2,5,6-trimethyl-phenol