4-CHLORO-2-(TRIFLUOROMETHYL)BENZYL BROMIDE

Base Information

• Chemical Name: 4-CHLORO-2-(TRIFLUOROMETHYL)BENZYL BROMIDE
• CAS No.: 886496-75-9
• Molecular Formula: C8H5BrClF3
• Molecular Weight: 273.48
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID80392995
• Wikidata: Q82191582
• Mol file: 886496-75-9.mol

Synonyms:1-bromomethyl-4-chloro-2-trifluoromethyl-benzene;4-CHLORO-2-(TRIFLUOROMETHYL)BENZYL BROMIDE;JRD-1314;

Chemical Property of 4-CHLORO-2-(TRIFLUOROMETHYL)BENZYL BROMIDE

Chemical Property:

• Refractive Index: 1.5200
• Boiling Point: 214.0±35.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.663±0.06 g/cm3(Predicted)
• LogP: 4.25370
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Difficult to mix.
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 271.92152
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

98%Min ^*data from raw suppliers

1-(bromomethyl)-4-chloro-2-(trifluoromethyl)-Benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)C(F)(F)F)CBr
• Uses: 4-Chloro-2-(trifluoromethyl)benzyl bromide is used in the synthesis of novel series of dithiocarbamates, via reaction with sodium salts of N,N-disubstituted dithiocarbamic acids

Technology Process of 4-CHLORO-2-(TRIFLUOROMETHYL)BENZYL BROMIDE

There total 2 articles about 4-CHLORO-2-(TRIFLUOROMETHYL)BENZYL 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:

(4-chloro-2-(trifluoromethyl)phenyl)methanol (773872-13-2) → 1-(bromomethyl)-4-chloro-2-(trifluoromethyl)benzene (886496-75-9)

Guidance literature:

With phosphorus tribromide; In dichloromethane; for 2h;

Reference yield:

4-chloro-2-(trifluoromethyl)benzaldehyde (320-43-4) → 1-(bromomethyl)-4-chloro-2-(trifluoromethyl)benzene (886496-75-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate / ethanol / 2 h

2: phosphorus tribromide / dichloromethane / 2 h

With sodium tetrahydroborate; phosphorus tribromide; In ethanol; dichloromethane;

Reference yield: 88.47%

1-(bromomethyl)-4-chloro-2-(trifluoromethyl)benzene (886496-75-9) + 5-methoxycarbonylindole (1011-65-0) → methyl 2-(4-chloro-2-(trifluoromethyl)benzyl)-1H-indole-5-carboxylate

Guidance literature:

With norborn-2-ene; dichloro bis(acetonitrile) palladium(II); sodium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 17h; Inert atmosphere;

upstream raw materials:

4-chloro-2-(trifluoromethyl)benzaldehyde

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

Downstream raw materials:

2-(1-{[4-chloro-2-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-3-yl)-1H-isoindole-1,3(2H)-dione

N-(1-{[4-chloro-2-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-3-yl)-2,6-difluorobenzamide

1-[4-chloro-2-(trifluoromethyl)benzyl]-1H-indazole-5-carbaldehyde

Refernces

• 1、 -. "Hydrophilic group-substituted indole carboxamide derivative, preparation method thereof and application of hydrophilic group-substituted indole carboxamide derivative to medicine". . . Retrieved 2019/04/09.