1-(Bromomethyl)-4-fluoro-2-methoxybenzene

Base Information

• Chemical Name: 1-(Bromomethyl)-4-fluoro-2-methoxybenzene
• CAS No.: 886498-51-7
• Molecular Formula: C8H8 Br F O
• Molecular Weight: 219.05
• Hs Code.: 2909309090
• European Community (EC) Number: 859-286-8
• DSSTox Substance ID: DTXSID50590683
• Wikidata: Q82484320
• Mol file: 886498-51-7.mol

Synonyms:886498-51-7;1-(Bromomethyl)-4-fluoro-2-methoxybenzene;4-Fluoro-2-methoxybenzyl bromide;MFCD06660191;4-FLUORO-2-METHOXYBENZYLBROMIDE;DTXSID50590683;CL8945;AKOS005255544;AM84241;AC-28658;AS-46148;SY035410;EN300-266128

Chemical Property of 1-(Bromomethyl)-4-fluoro-2-methoxybenzene

Chemical Property:

• Vapor Pressure: 0.168mmHg at 25°C
• Refractive Index: 1.531
• Boiling Point: 220.4°C at 760 mmHg
• Flash Point: 105.3°C
• PSA: 9.23000
• Density: 1.488g/cm³
• LogP: 2.72920
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Chloroform (Sparingly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 217.97426
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

98%Min ^*data from raw suppliers

1-(Bromomethyl)-4-fluoro-2-methoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)F)CBr
• Uses: 1-(Bromomethyl)-4-fluoro-2-methoxybenzene is a reagent used in the acid catalyzed site selective oxidation of substituted phenols to quinols.

Technology Process of 1-(Bromomethyl)-4-fluoro-2-methoxybenzene

There total 2 articles about 1-(Bromomethyl)-4-fluoro-2-methoxybenzene 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%

1-Fluoro-3-methoxy-4-methylbenzene (95729-22-9) → 1-(bromomethyl)-4-fluoro-2-methoxybenzene (886498-51-7)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 7h; Reflux;

DOI:10.1002/anie.201612463

Reference yield:

5-fluoro-2-methylphenol (452-85-7) → 1-(bromomethyl)-4-fluoro-2-methoxybenzene (886498-51-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 20 °C

2: dibenzoyl peroxide; N-Bromosuccinimide / tetrachloromethane / 7 h / Reflux

With N-Bromosuccinimide; potassium carbonate; dibenzoyl peroxide; In tetrachloromethane; N,N-dimethyl-formamide;

DOI:10.1002/anie.201612463

Reference yield: 91.0%

C18H17N3O3 + 1-(bromomethyl)-4-fluoro-2-methoxybenzene (886498-51-7) → C26H24FN3O4

Guidance literature:

With potassium tert-butylate; In acetonitrile; at 20 ℃; for 16h;

DOI:10.1039/c3md00014a

upstream raw materials:

1-Fluoro-3-methoxy-4-methylbenzene

5-fluoro-2-methylphenol

Refernces