3,5-Difluoro-4-methoxybenzyl bromide

Base Information

• Chemical Name: 3,5-Difluoro-4-methoxybenzyl bromide
• CAS No.: 706786-42-7
• Molecular Formula: C8H7BrF2O
• Molecular Weight: 237.04100
• Hs Code.: 2909309090
• European Community (EC) Number: 679-173-5
• DSSTox Substance ID: DTXSID80590631
• Wikidata: Q72447033
• Mol file: 706786-42-7.mol

Synonyms:3,5-Difluoro-4-methoxybenzyl bromide;706786-42-7;5-(bromomethyl)-1,3-difluoro-2-methoxybenzene;MFCD04115916;SCHEMBL3769931;DTXSID80590631;IQTBMXJVMUSGSL-UHFFFAOYSA-N;3,5-Difluoro-4-methoxybenzylbromide;3,4-Difluoro-4-methoxybenzyl Bromide;AKOS015956506;JS-4271;SY228181;E76395;EN300-4255975;4-(Bromomethyl)-2,6-difluoroanisole, 4-(Bromomethyl)-2,6-difluorophenyl methyl ether, 5-(Bromomethyl)-1,3-difluoro-2-methoxybenzene

Chemical Property of 3,5-Difluoro-4-methoxybenzyl bromide

Chemical Property:

• Melting Point: 39-42℃
• Boiling Point: 242.0±35.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.566±0.06 g/cm3(Predicted)
• LogP: 2.86830
• Water Solubility.: Insoluble in water.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 235.96483
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

98%Min ^*data from raw suppliers

3,5-Difluoro-4-methoxybenzyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1F)CBr)F
• Uses: 3,5-Difluoro-4-methoxybenzyl bromide is useful for research purposes. It is also used as an intermediate in organic synthesis.

Technology Process of 3,5-Difluoro-4-methoxybenzyl bromide

There total 3 articles about 3,5-Difluoro-4-methoxybenzyl 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:

(3,5-difluoro-4-methoxy-phenyl)-methanol (706786-41-6) → 5-(bromomethyl)-1,3-difluoro-2-methoxybenzene (706786-42-7)

Guidance literature:

With phosphorus tribromide;

DOI:10.1021/ja9731682

Reference yield:

3,5-Difluoro-4-methoxybenzaldehyde (654-11-5) → 5-(bromomethyl)-1,3-difluoro-2-methoxybenzene (706786-42-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaBH₄

2: PBr₃

With sodium tetrahydroborate; phosphorus tribromide;

DOI:10.1021/ja9731682

Reference yield:

→ 5-(bromomethyl)-1,3-difluoro-2-methoxybenzene (706786-42-7)

Guidance literature:

upstream raw materials:

(3,5-difluoro-4-methoxy-phenyl)-methanol

3,5-Difluoro-4-methoxybenzaldehyde

Refernces

• 1、 -. "METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES". Page/Page column 36. . Retrieved 2010/11/25.