2,4,5-Trifluorobenzyl bromide

Base Information

• Chemical Name: 2,4,5-Trifluorobenzyl bromide
• CAS No.: 157911-56-3
• Molecular Formula: C7H4BrF3
• Molecular Weight: 225.008
• Hs Code.: 29039990
• European Community (EC) Number: 642-693-8
• DSSTox Substance ID: DTXSID60380355
• Wikidata: Q72511004
• Mol file: 157911-56-3.mol

Synonyms:2,4,5-Trifluorobenzyl bromide;157911-56-3;1-(Bromomethyl)-2,4,5-trifluorobenzene;2,4,5-trifluorobenzylbromide;BENZENE, 1-(BROMOMETHYL)-2,4,5-TRIFLUORO-;2,4,5-trifluoro benzyl bromide;2,4,5-trifluorbenzylbromide;SCHEMBL344590;2,4,5 trifluorobenzyl bromide;2,4,5-trifluoro-benzylbromide;DTXSID60380355;MFCD00061209;AKOS005063907;AC-9756;AM62168;SB33946;1-bromomethyl-2,4,5-trifluoro-benzene;AS-15859;2,4,5-Trifluorobenzyl bromide, AldrichCPR;A3474;FT-0609809;T2386;A24154;EN300-1913171

Chemical Property of 2,4,5-Trifluorobenzyl bromide

Chemical Property:

• Vapor Pressure: 0.814mmHg at 25°C
• Melting Point: 21oC
• Refractive Index: 1.5015
• Boiling Point: 188.8 ºC at 760 mmHg
• Flash Point: 75.4 ºC
• PSA: 0.00000
• Density: 1.71 g/cm³
• LogP: 2.99880
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Lachrymatory
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 223.94485
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

99.5%+ ^*data from raw suppliers

2,4,5-Trifluorobenzyl Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,T
• Statements: 34-36-25
• Safety Statements: 26-36/37/39-45-23-20

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4,5-Trifluorobenzyl bromide

There total 3 articles about 2,4,5-Trifluorobenzyl 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:

phenylmethyl <4-<<(1,1-dimethylethyl)dimethylsilyl>oxy>cyclohexyl>carbamate (121936-50-3) → trans-(4-Hydroxy-cyclohexyl)-(2,4,5-trifluoro-benzyl)-carbamic acid benzyl ester + 2,4,5-trifluorobenzyl bromide (157911-56-3)

Guidance literature:

Reference yield:

(2,4,5-trifluorophenyl)methanol (144284-25-3) → 2,4,5-trifluorobenzyl bromide (157911-56-3)

Guidance literature:

With phosphorus tribromide; at 20 ℃; for 4h; Cooling with ice;

DOI:10.1039/c9gc01902b

Reference yield:

2,4,5-trifluorobenzaldehyde (165047-24-5) → 2,4,5-trifluorobenzyl bromide (157911-56-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate / methanol / 3 h / 20 °C / Cooling with ice

2: phosphorus tribromide / 4 h / 20 °C / Cooling with ice

With sodium tetrahydroborate; phosphorus tribromide; In methanol;

DOI:10.1039/c9gc01902b

upstream raw materials:

phenylmethyl <4-<<(1,1-dimethylethyl)dimethylsilyl>oxy>cyclohexyl>carbamate

(2,4,5-trifluorophenyl)methanol

2,4,5-trifluorobenzaldehyde

Downstream raw materials:

methyl 6-methyl-1-phenoxycarbonyl-4-(2,4,5-trifluorobenzyl)-1,4-dihydronicotinate

(2S,4R)-2-(2,4,5-trifluorobenzyloxymethyl)-4-tritylsulfanylpyrrolidine-1-carboxylic acid tert-butyl ester

phenylmethyl (3-exo)-3-[(1R)-1-[[(S)-(1,1-dimethylethyl)sulfinyl]amino]-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate

phenylmethyl (3-exo)-3-[(1S)-1-[[(S)-(1,1-dimethylethyl)sulfinyl]amino]-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate

Refernces

• 1、 -. "2,3-oxidosqualene-lanosterol cyclase inhibitors". . . Retrieved 2008/06/13.