2-Chloro-3,6-difluorobenzyl bromide

Base Information

• Chemical Name: 2-Chloro-3,6-difluorobenzyl bromide
• CAS No.: 90292-67-4
• Molecular Formula: C7H4 Br Cl F2
• Molecular Weight: 241.463
• Hs Code.: 2903999090
• European Community (EC) Number: 670-784-2
• DSSTox Substance ID: DTXSID70378546
• Wikidata: Q72518359
• Mol file: 90292-67-4.mol

Synonyms:2-Chloro-3,6-difluorobenzyl bromide;90292-67-4;2-(bromomethyl)-3-chloro-1,4-difluorobenzene;SCHEMBL488025;DTXSID70378546;KAADKOQBKOGBAA-UHFFFAOYSA-N;MFCD01631446;ISOAMYL3-(2-FURAN)PROPIONATE;2-chloro 3,6-difluoro-benzyl bromide;AKOS015850218;PS-9840;2-chloro-3,6-di-fluoro-benzyl bromide;AC-26174;FT-0611719;A22488;2-Chloro-3,6-difluorobenzyl bromide, AldrichCPR;EN300-1911411;Benzene,2-(bromomethyl)-3-chloro-1,4-difluoro-

Chemical Property of 2-Chloro-3,6-difluorobenzyl bromide

Chemical Property:

• Vapor Pressure: 0.16mmHg at 25°C
• Refractive Index: 1.55
• Boiling Point: 221.3°Cat760mmHg
• Flash Point: 87.6°C
• PSA: 0.00000
• Density: 1.733g/cm³
• LogP: 3.51310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Lachrymatory
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 239.91530
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-3,6-difluorobenzyl bromide 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1F)CBr)Cl)F

Technology Process of 2-Chloro-3,6-difluorobenzyl bromide

There total 1 articles about 2-Chloro-3,6-difluorobenzyl 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:

2-chloro-3,6-difluorotoluene (90292-64-1) → 2-(bromomethyl)-3-chloro-1,4-difluorobenzene (90292-67-4)

Guidance literature:

With bromine; In tetrachloromethane;

Reference yield: 71.0%

2-(bromomethyl)-3-chloro-1,4-difluorobenzene (90292-67-4) → 7-bromo-1-(2-chloro-3,6-difluorobenzyl)-1,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-one

Guidance literature:

7-bromo-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 0.416667h; Sonication;

2-(bromomethyl)-3-chloro-1,4-difluorobenzene; In N,N-dimethyl-formamide; for 0.333333h;

Reference yield: 69.0%

2-(bromomethyl)-3-chloro-1,4-difluorobenzene (90292-67-4) + (R)-N-tert-butoxycarbonyl serine (3262-72-4,3850-40-6,6368-20-3,90582-28-8,84311-18-2) → N-tert-butoxycarbonylamino-O-(2-chloro-3,6-difluorobenzyl)-D-serine (616882-04-3)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bmc.2005.07.070

upstream raw materials:

2-chloro-3,6-difluorotoluene

Downstream raw materials:

N-tert-butoxycarbonylamino-O-(2-chloro-3,6-difluorobenzyl)-D-serine

C₂₂H₂₃ClF₂NO₄P

2-amino-3-(2-chloro-3,6-difluoro-benzyloxy)-N-[5-(4-chloro-phenyl)-3,3-dimethyl-1,1-dioxo-2,3-dihydro-1H-1λ⁶-isothiazol-4-ylmethyl]-N-ethyl-propionamide

(2-(2-chloro-3,6-difluoro-benzyloxy)-1-{[5-(4-chloro-phenyl)-3,3-dimethyl-1,1-dioxo-2,3-dihydro-1H-1λ⁶-isothiazol-4-ylmethyl]-ethyl-carbamoyl}-ethyl)-carbamic acid tert-butyl ester

Refernces