2,4,6-Trifluorobenzyl bromide

Base Information

• Chemical Name: 2,4,6-Trifluorobenzyl bromide
• CAS No.: 151411-98-2
• Molecular Formula: C7H4 Br F3
• Molecular Weight: 225.008
• Hs Code.: 2903999090
• European Community (EC) Number: 642-861-0
• DSSTox Substance ID: DTXSID20380356
• Wikidata: Q72511011
• Mol file: 151411-98-2.mol

Synonyms:2,4,6-Trifluorobenzyl bromide;151411-98-2;2-(bromomethyl)-1,3,5-trifluorobenzene;Benzene, 2-(bromomethyl)-1,3,5-trifluoro-;2,4,6-trifluorobenzylbromide;Benzene,2-(bromomethyl)-1,3,5-trifluoro-;SCHEMBL189364;DTXSID20380356;CK2040;MFCD00061210;AKOS009158634;AC-26205;AS-45854;2,4,6-trifluorobenzyl bromide, AldrichCPR;FT-0609867;A22304;EN300-1912473;alpha-Bromo-2,4,6-trifluorotoluene;a-bromo-2,4,6-trifluorotoluene

Chemical Property of 2,4,6-Trifluorobenzyl bromide

Chemical Property:

• Vapor Pressure: 1.4mmHg at 25°C
• Refractive Index: 1.502
• Boiling Point: 177.4°Cat760mmHg
• Flash Point: 66.1°C
• PSA: 0.00000
• Density: 1.71g/cm³
• LogP: 2.99880
• 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: 119

Purity/Quality:

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

2,4,6-TrifluorobenzylBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.; R36:Irritating to eyes.
• Hazard Codes: C,T
• Statements: 34-36-25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4,6-Trifluorobenzyl bromide

There total 2 articles about 2,4,6-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:

2,4,6-trifluorophenylmethyl alcohol (118289-07-9) → 2-(bromomethyl)-1,3,5-trifluorobenzene (151411-98-2)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmcl.2012.11.115

Reference yield:

2,4,6-trifluorobenzaldehyde (58551-83-0) → 2-(bromomethyl)-1,3,5-trifluorobenzene (151411-98-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate / methanol / 0 °C

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

With sodium tetrahydroborate; carbon tetrabromide; triphenylphosphine; In methanol; dichloromethane;

DOI:10.1016/j.bmcl.2012.11.115

Reference yield: 93.0%

O6-Demethyl-Donepezil (120013-56-1) + 2-(bromomethyl)-1,3,5-trifluorobenzene (151411-98-2) → 2-[(1-benzylpiperidin-4-yl)methyl]-6-[(2,4,6-trifluorobenzyl)oxy-5-methoxy-2,3-dihydroinden-1-one]

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.3390/molecules23123252

upstream raw materials:

2,4,6-trifluorophenylmethyl alcohol

2,4,6-trifluorobenzaldehyde

Downstream raw materials:

diethyl 2-acetamido-2-(2,4,6-trifluorobenzyl)malonate

3-{2-[5-bromo-2-(2,4,6-trifluorobenzyloxy)phenyl]-5-methyl-pyrrol-1-yl}-benzoic acid ethyl ester

L-2,4,6-trifluorophenylalanine

(R)-2-Amino-3-(2,4,6-trifluoro-phenyl)-propionic acid

Refernces