1-Benzyl-4-(bromomethyl)-2,3,5,6-tetrafluorobenzene

Base Information

• Chemical Name: 1-Benzyl-4-(bromomethyl)-2,3,5,6-tetrafluorobenzene
• CAS No.: 776-40-9
• Molecular Formula: C8H4 Br2 F4
• Molecular Weight: 335.921
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID90698152
• Wikidata: Q72518318
• Mol file: 776-40-9.mol

Synonyms:DTXSID90698152;1-benzyl-4-(bromomethyl)-2,3,5,6-tetrafluorobenzene

Chemical Property of 1-Benzyl-4-(bromomethyl)-2,3,5,6-tetrafluorobenzene

Chemical Property:

• Melting Point: 103-106℃
• PSA: 0.00000
• LogP: 4.79070
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 331.98238
• Heavy Atom Count: 19
• Complexity: 267

Purity/Quality:

98% ^*data from raw suppliers

1,4-Bis(bromomethyl)-2,3,5,6-tetrafluorobenzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 34-36/37/38-41
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=C(C(=C(C(=C2F)F)CBr)F)F

Technology Process of 1-Benzyl-4-(bromomethyl)-2,3,5,6-tetrafluorobenzene

There total 14 articles about 1-Benzyl-4-(bromomethyl)-2,3,5,6-tetrafluorobenzene 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: 97.0%

1,4-dimethyl-2,3,5,6-tetrafluorobenzene (703-87-7) → α,α’-dibromo-m-tetrafluoroxylene (776-40-9)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In dichloromethane; for 18h; Reflux; Irradiation;

DOI:10.1016/j.tet.2013.01.075

Reference yield: 96.0%

2,3,5,6-tetrafluoro-1,4-benzenedimethanol (92339-07-6) → α,α’-dibromo-m-tetrafluoroxylene (776-40-9)

Guidance literature:

With phosphorus tribromide; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃; for 4h; Inert atmosphere;

DOI:10.1002/poc.3726

Reference yield: 20.0%

1,4-dimethyl-2,3,5,6-tetrafluorobenzene (703-87-7) → α,α’-dibromo-m-tetrafluoroxylene (776-40-9) + 1-bromomethyl-2,3,5,6-tetrafluoro-4-methylbenzene (92814-00-1)

Guidance literature:

With bromine; In tetrachloromethane; for 2h; Heating; Irradiation;

DOI:10.1016/S0022-1139(00)85095-2

upstream raw materials:

1,4-dimethyl-2,3,5,6-tetrafluorobenzene

2,3,5,6-tetrafluoro-1,4-benzenedimethanol

2,3,5,6-tetrafluorobenzaldehyde

1,2,4,5-Tetrafluorobenzene

Downstream raw materials:

2,3,5,6-tetrafluoro-1,4-xylene-α,α'bis(dimethylsulphonium bromide)

1,4-bis (mercaptomethyl)-2,3,5,6-tetrafluorobenzene

2,3,5,6-tetrafluoroterephthalic acid

[4-((diethoxyphosphoryl)methyl)-2,3,5,6-tetrafluorobenzyl]phosphonic acid diethyl ester