3-Chloro-2,6-difluorobenzyl bromide

Base Information

• Chemical Name: 3-Chloro-2,6-difluorobenzyl bromide
• CAS No.: 261762-47-4
• Molecular Formula: C7H4BrClF2
• Molecular Weight: 241.463
• Hs Code.: 2903999090
• European Community (EC) Number: 670-783-7
• DSSTox Substance ID: DTXSID30378547
• Wikidata: Q82168032
• Mol file: 261762-47-4.mol

Synonyms:3-Chloro-2,6-difluorobenzyl bromide;261762-47-4;2-(bromomethyl)-4-chloro-1,3-difluorobenzene;3-(bromomethyl)-1-chloro-2,4-difluorobenzene;Benzene, 2-(bromomethyl)-4-chloro-1,3-difluoro-;3-Chloro-2,6-difluorobenzylbromide;SCHEMBL488065;DTXSID30378547;SNOJSRMVFAKBEG-UHFFFAOYSA-N;MFCD01631326;AKOS015848677;AT13646;JS-4160;FT-0615316;3-Chloro-2,6-difluorobenzyl bromide, AldrichCPR;EN300-1912627;A818253;3-(bromomethyl)-1-chloranyl-2,4-bis(fluoranyl)benzene

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

Chemical Property:

• Vapor Pressure: 0.147mmHg at 25°C
• Refractive Index: 1.548
• Boiling Point: 222.9 °C at 760 mmHg
• Flash Point: 88.6 °C
• PSA: 0.00000
• Density: 1.733 g/cm³
• LogP: 3.51310
• 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

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

Safty Information:

• Pictogram(s): C
• 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)F)Cl

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

There total 2 articles about 3-Chloro-2,6-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: 77.0%

(3-chloro-2,6-difluoro-phenyl)-methanol (252004-35-6) → 3-chloro-2,6-difluorobenzyl bromide (261762-47-4)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 20 ℃; for 2h;

Reference yield:

2,6-difluoro-3-chlorobenzoic acid (225104-76-7) → 3-chloro-2,6-difluorobenzyl bromide (261762-47-4)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylsulfide borane complex / tetrahydrofuran / 12 h / 20 °C

2: triphenylphosphine; carbon tetrabromide / dichloromethane / 2 h / 20 °C

With carbon tetrabromide; dimethylsulfide borane complex; triphenylphosphine; In tetrahydrofuran; dichloromethane;

Reference yield: 97.0%

methyl (1R)-N-(tert-butyloxycarbonyl)-6-hydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylate (935271-43-5) + 3-chloro-2,6-difluorobenzyl bromide (261762-47-4) → (R)-2-tert-butyl 1-methyl 6-(3-chloro-2,6-difluorobenzyloxy)-3,4-dihydroisoquinoline-1,2(1H)-dicarboxylate

Guidance literature:

With caesium carbonate; In acetone; at 20 ℃; for 3.5h;

upstream raw materials:

2,6-difluoro-3-chlorobenzoic acid

(3-chloro-2,6-difluoro-phenyl)-methanol

Downstream raw materials:

C₂₂H₂₃ClF₂NO₄P

9-(3-chloro-2,6-difluorobenzyl)-2-[(3-chloro-2,6-difluorobenzyl)oxy]-1,9-dihydro-6H-purin-6-one

ethyl 1-(3-chloro-2,6-difluorobenzyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate

3-(3-chloro-2,6-difluorophenyl)-7-((5-(2-(diethylamino)ethoxy)pyridin-2-yl)amino)-1-ethyl-1,6-naphthyridin-2(1H)-one

Refernces