3-Bromo-4-fluorobenzyl bromide

Base Information

• Chemical Name: 3-Bromo-4-fluorobenzyl bromide
• CAS No.: 78239-71-1
• Molecular Formula: C7H5Br2F
• Molecular Weight: 267.923
• Hs Code.: 2903998090
• European Community (EC) Number: 678-220-7
• Nikkaji Number: J2.649.963A
• Mol file: 78239-71-1.mol

Synonyms:3-bromo-4-fluorobenzyl bromide;78239-71-1;2-bromo-4-(bromomethyl)-1-fluorobenzene;3-Bromo-4-fluorobenzylbromide;MFCD09037367;2-bromo-4-bromomethyl-1-fluorobenzene;2-bromanyl-4-(bromomethyl)-1-fluoranyl-benzene;Benzene, 2-bromo-4-(bromomethyl)-1-fluoro-;SCHEMBL333551;3-bromo-4-fluoro-benzyl bromide;ZRWSODQPUJMFRV-UHFFFAOYSA-N;5-Aminomethylpyrimidine-2,4-diamine;AKOS005256304;AM62192;AS-38672;SY021845;B2975;FT-0691571;EN300-29545;A22478;A805701;A839374;A865073;2-Bromo-4-(bromomethyl)-1-fluorobenzene, AldrichCPR

Chemical Property of 3-Bromo-4-fluorobenzyl bromide

Chemical Property:

• Melting Point: 41 °C
• Boiling Point: 259.8 °C at 760 mmHg
• Flash Point: 110.9 °C
• PSA: 0.00000
• Density: 1.923 g/cm³
• LogP: 3.48310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Lachrymatory
• Solubility.: soluble in Methanol
• Water Solubility.: Slightly soluble in water.
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 267.87215
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

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

3-Bromo-4-fluorobenzyl Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, T
• Hazard Codes: C,T

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CBr)Br)F
• Uses: 3-Bromo-4-fluorobenzyl bromide is used as a pharmaceutical intermediate.

Technology Process of 3-Bromo-4-fluorobenzyl bromide

There total 4 articles about 3-Bromo-4-fluorobenzyl 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%

3-bromo-4-fluorotoluene (452-62-0) → 3-bromo-4-fluorobenzyl bromide (78239-71-1)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In 1,2-dichloro-ethane; for 2h; Heating / reflux;

Reference yield:

3-bromo-4-fluoro-benzyl alcohol (77771-03-0) → 3-bromo-4-fluorobenzyl bromide (78239-71-1)

Guidance literature:

With pyridine; phosphorus tribromide; sodium hydrogencarbonate; In toluene;

Reference yield:

3-bromo-4-fluorobenzaldehyde (77771-02-9) → 3-bromo-4-fluorobenzyl bromide (78239-71-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate / methanol / 1 h / Cooling with ice

2: phosphorus tribromide / dichloromethane / 1 h / Cooling with ice

With sodium tetrahydroborate; phosphorus tribromide; In methanol; dichloromethane;

upstream raw materials:

3-bromo-4-fluorotoluene

3-bromo-4-fluoro-benzyl alcohol

3-bromo-4-fluorobenzaldehyde

Downstream raw materials:

3-(3-bromo-4-fluorobenzyloxy)phenol

2-(3-bromo-4-fluoro-phenyl)acetonitrile

Refernces

• 1、 -. "PHENOXYMETHYL DERIVATIVES". Page/Page column 219; 220. . Retrieved 2017/03/21.
• 2、 -. "Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof". Page/Page column 71. . Retrieved 2009/04/24.