4-(Difluoromethoxy)benzyl bromide

Base Information

• Chemical Name: 4-(Difluoromethoxy)benzyl bromide
• CAS No.: 3447-53-8
• Molecular Formula: C8H7BrF2O
• Molecular Weight: 237.044
• Hs Code.: 2909309090
• European Community (EC) Number: 670-825-4
• DSSTox Substance ID: DTXSID70371759
• Wikidata: Q72463281
• Mol file: 3447-53-8.mol

Synonyms:3447-53-8;4-(Difluoromethoxy)benzyl bromide;1-(bromomethyl)-4-(difluoromethoxy)benzene;Benzene, 1-(bromomethyl)-4-(difluoromethoxy)-;1-bromomethyl-4-difluoromethoxy-benzene;4-difluoromethoxybenzyl bromide;SCHEMBL242176;4-difluoromethoxy-benzyl bromide;DTXSID70371759;CK2037;MFCD00085007;AKOS009157575;CS-W005882;DS-4569;D4956;FT-0616747;4-(Difluoromethoxy)benzyl bromide, AldrichCPR;EN300-1228924;A822251;W-202412;F0001-1004

Chemical Property of 4-(Difluoromethoxy)benzyl bromide

Chemical Property:

• Vapor Pressure: 0.0674mmHg at 25°C
• Refractive Index: 1.5200
• Boiling Point: 237.9 °C at 760 mmHg
• Flash Point: 117.3 °C
• PSA: 9.23000
• Density: 1.537 g/cm³
• LogP: 3.18290
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Lachrymatory
• Water Solubility.: Slightly soluble in water.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 235.96483
• Heavy Atom Count: 12
• Complexity: 124

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Difluoromethoxy)benzyl Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 36/37/38-52-36-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CBr)OC(F)F
• Uses: It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 4-(Difluoromethoxy)benzyl bromide

There total 2 articles about 4-(Difluoromethoxy)benzyl 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: 72.0%

4-methyl-α,α-difluoroanisole (1583-83-1) → 4-(difluoromethoxy)benzyl bromide (3447-53-8)

Guidance literature:

With bromine; In tetrachloromethane; for 0.5h; Heating; Irradiation;

Reference yield:

→ 4-(difluoromethoxy)benzyl bromide (3447-53-8)

Guidance literature:

Reference yield: 92.0%

4-(difluoromethoxy)benzyl bromide (3447-53-8) + 3,5-dibromo-4-hydroxybenzaldehyde (2973-77-5) → (E)-2,6-dibromo-4-[4-(difluoromethoxy)styryl]phenol (1207104-92-4)

Guidance literature:

4-(difluoromethoxy)benzyl bromide; With triethyl phosphite; at 150 ℃; for 3h; Inert atmosphere;

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; Inert atmosphere;

3,5-dibromo-4-hydroxybenzaldehyde; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; Inert atmosphere;

DOI:10.1021/ja908562q

upstream raw materials:

4-methyl-α,α-difluoroanisole

Downstream raw materials:

2-(4-Difluoromethoxy-benzyl)-2-formylamino-malonic acid diethyl ester

1-(4-difluoromethoxy-phenylmethyl)-1H-indole-6-carboxylic acid methyl ester

N'-[1-(4-difluoromethoxybenzyl)-1H-indazol-3-yl]-N,N-dimethylformamidine

2-Amino-3-(4-difluoromethoxy-phenyl)-propionic acid

Refernces

• 1、 -. "Combating arthropods with novel fluorine-containing phenylacetic acid esters". . . Retrieved 2008/06/13.