5-Chloro-2-fluorobenzyl Bromide

Base Information

• Chemical Name: 5-Chloro-2-fluorobenzyl Bromide
• CAS No.: 71916-91-1
• Molecular Formula: C7H5 Br Cl F
• Molecular Weight: 223.472
• Hs Code.: 29039990
• European Community (EC) Number: 670-703-0
• DSSTox Substance ID: DTXSID30378603
• Wikidata: Q72450700
• Mol file: 71916-91-1.mol

Synonyms:5-Chloro-2-fluorobenzyl Bromide;71916-91-1;2-(bromomethyl)-4-chloro-1-fluorobenzene;1-(Bromomethyl)-5-chloro-2-fluorobenzene;2-fluoro-5-chlorobenzyl bromide;Benzene, 2-(bromomethyl)-4-chloro-1-fluoro-;MFCD01631437;5-Chloro-2-fluorobenzylbromide;SCHEMBL269490;5-chloro-2-fluoro-benzylbromide;DTXSID30378603;5-chloro-2-fluoro-benzyl bromide;DJXBUSVMEONVRS-UHFFFAOYSA-N;CK1008;AKOS005257708;AM62190;AS-45820;2-(bromomethyl)-4-chloro- 1-fluorobenzene;5-Chloro-2-fluorobenzyl bromide, AldrichCPR;A9391;C2360;FT-0620244;EN300-171510;Q-101299

Chemical Property of 5-Chloro-2-fluorobenzyl Bromide

Chemical Property:

• Vapor Pressure: 0.121mmHg at 25°C
• Refractive Index: 1.565
• Boiling Point: 44-45°C 0,5mm
• Flash Point: 44-45°C/0.5mm
• PSA: 0.00000
• Density: 1.65
• LogP: 3.37400
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Lachrymatory
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 221.92472
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

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

2-(bromomethyl)-4-chloro-1-fluoro-Benzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xn
• Statements: 34-36/37/38-22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)CBr)F
• Uses: 2-(bromomethyl)-4-chloro-1-fluoro-Benzene is a useful reactant which has been used in the synthesis of potential cell cycle inhibitors in HepG2 cells.

Technology Process of 5-Chloro-2-fluorobenzyl Bromide

There total 1 articles about 5-Chloro-2-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: 88.0%

5-chloro-2-fluorotoluene (452-66-4) → 5-chloro-2-fluorobenzyl bromide (71916-91-1)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 5h; Heating;

DOI:10.1002/jhet.5570340105

Reference yield: 100.0%

5-chloro-2-fluorobenzyl bromide (71916-91-1) + triethyl phosphite (122-52-1) → (5-chloro-2-fluoro-benzyl)-phosphonic acid diethyl ester (1000890-05-0)

Guidance literature:

at 100 ℃; for 3.75h; Product distribution / selectivity;

Reference yield: 96.0%

(R)-5-chloro-1-(4-methoxybenzyl)spiro[indoline-3,3'-pyrrolidine]-2,5'-dione + 5-chloro-2-fluorobenzyl bromide (71916-91-1) → (R)-5-chloro-1'-(5-chloro-2-fluorobenzyl)-1-(4-methoxybenzyl)spiro[indoline-3,3'-pyrrolidine]-2,5'-dione

Guidance literature:

(R)-5-chloro-1-(4-methoxybenzyl)spiro[indoline-3,3'-pyrrolidine]-2,5'-dione; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

5-chloro-2-fluorobenzyl bromide; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1002/anie.201904838

upstream raw materials:

5-chloro-2-fluorotoluene

Downstream raw materials:

1-benzyl-4-(5-chloro-2-fluorobenzyl)-4-piperidinol

3-(5-Chloro-2-fluoro-benzyl)-pyrazine-2-carboxylic acid methyl ester

3-(5-Chloro-2-fluoro-benzyl)-5-methoxy-isonicotinic acid methyl ester

(5-chloro-2-fluoro-benzyl)-phosphonic acid diethyl ester

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS". Page/Page column 11-12. . Retrieved 2010/11/29.
• 2、 Plater, M. John. "Fullerene tectonics. Part 2. Synthesis and pyrolysis of halogenated benzo[c]phenanthrenes". . p. 2903 - 2909. Retrieved 2007/10/03.