3-(Bromomethyl)-2,4,6-trimethylphenol

Base Information

• Chemical Name: 3-(Bromomethyl)-2,4,6-trimethylphenol
• CAS No.: 212835-16-0
• Molecular Formula: C₁₀H₁₃BrO
• Molecular Weight: 229.117
• European Community (EC) Number: 891-229-2
• Mol file: 212835-16-0.mol

Synonyms:3-(bromomethyl)-2,4,6-trimethylphenol;212835-16-0;EN300-7968328

Chemical Property of 3-(Bromomethyl)-2,4,6-trimethylphenol

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 228.01498
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1CBr)C)O)C

Technology Process of 3-(Bromomethyl)-2,4,6-trimethylphenol

There total 2 articles about 3-(Bromomethyl)-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: 92.0%

1,3,5-Trioxan (110-88-3) + Mesitol (527-60-6) → 3-(bromomethyl)-2,4,6-trimethylphenol (212835-16-0)

Guidance literature:

With sulfuric acid; acetic acid; sodium bromide; at 20 ℃; for 1h;

DOI:10.1021/ma0508146

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Mesitol (527-60-6) + acetic acid (64-19-7,77671-22-8) → acetic acid-(2-bromomethyl-3,4,6-trimethyl-phenyl ester) + 3-(bromomethyl)-2,4,6-trimethylphenol (212835-16-0)

Guidance literature:

With hydrogen bromide; at 40 ℃; for 2h;

DOI:10.1002/(SICI)1522-2675(20000510)83:5<1022::AID-HLCA1022>3.0.CO;2-Y

Reference yield: 85.0%

3-(bromomethyl)-2,4,6-trimethylphenol (212835-16-0) → isodurenol (3238-38-8)

Guidance literature:

With hydrogen; sodium acetate; palladium on activated charcoal; In ethanol; acetic acid; ethyl acetate; at 20 ℃;

DOI:10.1002/(SICI)1522-2675(20000510)83:5<1022::AID-HLCA1022>3.0.CO;2-Y

upstream raw materials:

formaldehyd

Mesitol

acetic acid

1,3,5-Trioxan

Downstream raw materials:

3,5,7,10,12,14,17,19,21,24,26,28-dodecamethyl[1.1.1.1]metacyclophane-4,11,18,25-tetrol

isodurenol

5-(methoxymethyl)-2,3,4,6-tetramethylphenol

1-(6-hydroxyhexyloxy)-5-(methoxymethyl)-2,3,4,6-tetramethylbenzene