3-(bromomethyl)-6-(tert-butyl)-2,4-xylenol

Base Information

• Chemical Name: 3-(bromomethyl)-6-(tert-butyl)-2,4-xylenol
• CAS No.: 93982-04-8
• Molecular Formula: C13H19 Br O
• Molecular Weight: 271.197
• Hs Code.: 2908199090
• Mol file: 93982-04-8.mol

Synonyms:3-(bromomethyl)-6-(tert-butyl)-2,4-xylenol

Chemical Property of 3-(bromomethyl)-6-(tert-butyl)-2,4-xylenol

Chemical Property:

• Melting Point: 76-77 °C
• Boiling Point: 323.5±37.0 °C(Predicted)
• PKA: 11.59±0.28(Predicted)
• PSA: 20.23000
• Density: 1.252±0.06 g/cm3(Predicted)
• LogP: 4.20140
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, DCM, Ethyl Acetate

Purity/Quality:

98%Min ^*data from raw suppliers

3-(Bromomethyl)-6-(1,1-dimethylethyl)-2,4-dimethylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-(Bromomethyl)-6-(1,1-dimethylethyl)-2,4-dimethylphenol is an intermediate in the preparation of selective alpha-1 agonist and partial alpha-2 agonist topical decongestant.

Technology Process of 3-(bromomethyl)-6-(tert-butyl)-2,4-xylenol

There total 2 articles about 3-(bromomethyl)-6-(tert-butyl)-2,4-xylenol 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%

Dimethoxymethane (109-87-5) + 2,4-dimethyl-6-tert-butylphenol (1879-09-0) → 3-(bromomethyl)-6-tert-butyl-2,4-dimethylphenol (93982-04-8)

Guidance literature:

With hydrogen bromide;

DOI:10.1134/S1070428006110091

Reference yield: 41.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,4-dimethyl-6-tert-butylphenol (1879-09-0) → 3-(bromomethyl)-6-tert-butyl-2,4-dimethylphenol (93982-04-8)

Guidance literature:

With hydrogen bromide; acetic acid; at 45 ℃; Inert atmosphere;

DOI:10.1002/jlcr.1805

Reference yield: 100.0%

3-(bromomethyl)-6-tert-butyl-2,4-dimethylphenol (93982-04-8) + acetic anhydride (108-24-7) → 6-tert-butyl-3-bromomethyl-2,4-dimethylphenyl acetate (956582-17-5)

Guidance literature:

With clay kaolin K₁₀; In dichloromethane; for 4h; Heating;

DOI:10.1134/S1070428006110091

upstream raw materials:

Dimethoxymethane

2,4-dimethyl-6-tert-butylphenol

formaldehyd

Downstream raw materials:

6-tert-butyl-3-bromomethyl-2,4-dimethylphenyl acetate

3-{(1H-benzo[d]imidazol-2-ylsulfanyl)methyl}-6-tert-butyl-2,4-dimethyl-phenyl acetate

2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetonitrile

2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)aceto-⁽¹⁴⁾C-nitrile