2-Bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene

Base Information

• Chemical Name: 2-Bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene
• CAS No.: 657-64-7
• Molecular Formula: C8H5Br2F3
• Molecular Weight: 317.931
• Hs Code.: 2903999090
• European Community (EC) Number: 816-205-0
• DSSTox Substance ID: DTXSID50565937
• Wikidata: Q82451290
• Mol file: 657-64-7.mol

Synonyms:657-64-7;2-BROMO-1-(BROMOMETHYL)-4-(TRIFLUOROMETHYL)BENZENE;2-Bromo-4-(trifluoromethyl)benzyl bromide;SCHEMBL1992103;Benzene, 2-bromo-1-(bromomethyl)-4-(trifluoromethyl)-;DTXSID50565937;CL9075;MFCD11847628;AKOS027375047;2-bromo-4-trifluoromethylbenzyl bromide;AS-46199;2-bromo-1-bromomethyl-4-trifluoromethyl-benzene

Chemical Property of 2-Bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene

Chemical Property:

• Boiling Point: 246.5±35.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.885±0.06 g/cm3(Predicted)
• LogP: 4.36280
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 317.86896
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

98.5% ^*data from raw suppliers

2-Bromo-4-(trifluoromethyl)benzyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)CBr

Technology Process of 2-Bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene

There total 7 articles about 2-Bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene 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%

2-bromo-1-methyl-4-(trifluoromethyl)benzene (66417-30-9) → 2-bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene (657-64-7)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; at 70 ℃; for 5h; Reagent/catalyst; Temperature; Inert atmosphere;

Reference yield: 96.3%

(2-bromo-4-(trifluoromethyl)phenyl)methanol (497959-33-8) → 2-bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene (657-64-7)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In tetrahydrofuran; at 25 ℃; for 12h;

Reference yield: 37.0%

4-bromomethyltrifluoromethylbenzene (402-49-3) → 2-bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene (657-64-7)

Guidance literature:

With bromine; iron; In dichloromethane; for 24h; Heating;

upstream raw materials:

4-bromomethyltrifluoromethylbenzene

2-bromo-1-methyl-4-(trifluoromethyl)benzene

3-amino-4-methylbenzotrifluoride

(2-bromo-4-(trifluoromethyl)phenyl)methanol

Downstream raw materials:

2-bromo-4-(trifluoromethyl)benzaldehyde

Refernces

• 1、 -. "NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS". Page/Page column 195. . Retrieved 2020/03/05.
• 2、 -. "BIPHENYL DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS". Page/Page column 20. . Retrieved 2012/12/13.