4-Fluoro-3,5-dimethylbenzyl bromide

Base Information

• Chemical Name: 4-Fluoro-3,5-dimethylbenzyl bromide
• CAS No.: 886501-82-2
• Molecular Formula: C9H10BrF
• Molecular Weight: 217.081
• Hs Code.: 2909309090
• European Community (EC) Number: 679-366-4
• DSSTox Substance ID: DTXSID60590659
• Wikidata: Q82484294
• Mol file: 886501-82-2.mol

Synonyms:4-Fluoro-3,5-dimethylbenzyl bromide;886501-82-2;5-(bromomethyl)-2-fluoro-1,3-dimethylbenzene;3,5-dimethyl-4-fluorobenzyl bromide;SCHEMBL3436943;DTXSID60590659;VWOKJGNBUPEMGW-UHFFFAOYSA-N;4-Fluoro-3,5-dimethylbenzylbromide;MFCD06660268;AKOS010017188;DB-168013;E76396;5-(Bromomethyl)-2-fluoro-1,3-dimethyl-benzene

Chemical Property of 4-Fluoro-3,5-dimethylbenzyl bromide

Chemical Property:

• Vapor Pressure: 0.0767mmHg at 25°C
• Melting Point: 44-46℃
• Boiling Point: 235.4°C at 760 mmHg
• Flash Point: 99.2°C
• PSA: 0.00000
• Density: 1.394g/cm³
• LogP: 3.33740
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 215.99499
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

97% ^*data from raw suppliers

4-Fluoro-3,5-dimethylbenzyl bromide 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1F)C)CBr
• Uses: 4-Fluoro-3,5-dimethylbenzyl bromide is used as laboratory chemical. It acts as an intermediate in the pharmaceutical industry.

Technology Process of 4-Fluoro-3,5-dimethylbenzyl bromide

There total 4 articles about 4-Fluoro-3,5-dimethylbenzyl bromide 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: 91.0%

5-(ethoxymethyl)-2-fluoro-1,3-dimethylbenzene → 5-(bromomethyl)-2-fluoro-1,3-dimethylbenzene (886501-82-2)

Guidance literature:

With hydrogen bromide; acetic acid; In dichloromethane; at 20 ℃;

DOI:10.1002/anie.201907030

Reference yield: 85.2%

(4-fluoro-3,5-dimethylphenyl)methanol → 5-(bromomethyl)-2-fluoro-1,3-dimethylbenzene (886501-82-2)

Guidance literature:

With hydrogen bromide; acetic acid; at 100 ℃; for 4h;

DOI:10.1021/acs.jmedchem.1c01774

Reference yield:

3,5-dimethyl-4-fluoro-1-bromobenzene (99725-44-7) → 5-(bromomethyl)-2-fluoro-1,3-dimethylbenzene (886501-82-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran / 1 h / -78 °C / Inert atmosphere

1.2: Inert atmosphere

2.1: hydrogen bromide; acetic acid / dichloromethane / 20 °C

With n-butyllithium; hydrogen bromide; acetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1002/anie.201907030

upstream raw materials:

3,5-dimethyl-4-fluoro-1-bromobenzene

4-fluoro-3,5 -dimethylbenzaldehyde

Downstream raw materials:

4-[1-(4-fluoro-3,5-dimethylbenzyl)-4-methoxy-1H-indol-3-yl]-2-hydroxy-4-oxobut-2-enoic acid

4-[1-(4-fluoro-3,5-dimethylbenzyl)-4-methoxy-1H-indol-3-yl]-2-hydroxy-4-oxobut-2-enoate

(S)-2-(4-fluoro-3,5-dimethylbenzyl)-6-(4-fluoro-3-methylbenzyloxy)-N-hydroxyhexanamide

(S)-2-(4-fluoro-3,5-dimethyl-benzyl)-6-(4-fluoro-3-methyl-benzylamino)-hexanoic acid hydroxyamide