4-(Bromomethyl)-2,6-dimethylphenyl acetate

Base Information

• Chemical Name: 4-(Bromomethyl)-2,6-dimethylphenyl acetate
• CAS No.: 711-95-5
• Molecular Formula: C11H13BrO2
• Molecular Weight: 257.127
• Mol file: 711-95-5.mol

Synonyms:4-(Bromomethyl)-2,6-dimethylphenyl acetate;711-95-5;SCHEMBL1974691;JARMUKWSAYQPKJ-UHFFFAOYSA-N;4-(Bromomethyl)-2,6-dimethylphenylacetate;[4-(bromomethyl)-2,6-dimethylphenyl] acetate

Chemical Property of 4-(Bromomethyl)-2,6-dimethylphenyl acetate

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 256.00989
• Heavy Atom Count: 14
• Complexity: 194

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1OC(=O)C)C)CBr

Technology Process of 4-(Bromomethyl)-2,6-dimethylphenyl acetate

There total 4 articles about 4-(Bromomethyl)-2,6-dimethylphenyl acetate 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: 80.0%

4-(hydroxymethyl)-2,6-dimethylphenyl acetate (915920-75-1) → acetic acid-(4-bromomethyl-2,6-dimethyl-phenyl ester) (711-95-5)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 6h;

Reference yield:

4-(hydroxymethyl)-2,6-dimethylphenol (4397-14-2) → acetic acid-(4-bromomethyl-2,6-dimethyl-phenyl ester) (711-95-5)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene / 50 °C / Einleiten von HBr

2: concentrated sulfuric acid

With sulfuric acid; benzene;

Reference yield:

3,5-dimethyl-4-hydroxybenzyl bromide (45952-56-5) + acetic anhydride (108-24-7) → acetic acid-(4-bromomethyl-2,6-dimethyl-phenyl ester) (711-95-5)

Guidance literature:

With sulfuric acid;

upstream raw materials:

3,5-dimethyl-4-hydroxybenzyl bromide

acetic anhydride

4-(hydroxymethyl)-2,6-dimethylphenol

4-(hydroxymethyl)-2,6-dimethylphenyl acetate

Downstream raw materials:

4-acetoxy-3,5-dimethyl-benzaldehyde

bis-(4-acetoxy-3,5-dimethyl-phenyl)-methane

(2Z)-5-[4-(acetyloxy)-3,5-dimethylbenzyl]-3-butyl-2-{[2-{[(2S)-2-hydroxypropyl]oxy}-5-(trifluoromethyl)benzoyl]imino}-2,3-dihydro[1,3]thiazolo[4,5-c]pyridin-5-ium bromide