4-Fluoro-2-(trifluoromethyl)benzylamine

Base Information

• Chemical Name: 4-Fluoro-2-(trifluoromethyl)benzylamine
• CAS No.: 202522-22-3
• Molecular Formula: C8H7F4N
• Molecular Weight: 193.144
• Hs Code.: 29214200
• European Community (EC) Number: 671-100-5
• DSSTox Substance ID: DTXSID10370549
• Wikidata: Q72477440
• Mol file: 202522-22-3.mol

Synonyms:202522-22-3;4-Fluoro-2-(trifluoromethyl)benzylamine;(4-Fluoro-2-(trifluoromethyl)phenyl)methanamine;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine;4-Fluoro-2-(trifluoromethyl)benzyl amine;4-Fluoro-2-(trifluoromethyl)benzenemethanamine;Benzenemethanamine, 4-fluoro-2-(trifluoromethyl)-;1-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine;4-Fluoro-2-trifluoromethylbenzylamine;Benzenemethanamine,4-fluoro-2-(trifluoromethyl)-;SCHEMBL109671;DTXSID10370549;2-trifluoromethyl-4-fluorobenzylamine;CK2393;MFCD00061164;4-fluoro-2-trifluoromethyl benzylamine;AKOS009157268;CS-W015787;PS-8322;FT-0618451;4-FLUORO-2-TRIFLUOROMETHYLBENZYL AMINE;EN300-40141;(4-fluoro-2-(trifluoromethyl)phenyl)-methanamine;{[4-fluoro-2-(trifluoromethyl)phenyl]methyl}amine;A814360;J-013151;Z407959090

Chemical Property of 4-Fluoro-2-(trifluoromethyl)benzylamine

Chemical Property:

• Vapor Pressure: 1.04mmHg at 25°C
• Refractive Index: 1.453
• Boiling Point: 177.439 °C at 760 mmHg
• PKA: 8.21±0.10(Predicted)
• Flash Point: 72.7 °C
• PSA: 26.02000
• Density: 1.313 g/cm³
• LogP: 3.00350
• Storage Temp.: Store under nitrogen
• Sensitive.: Air Sensitive
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 193.05146188
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

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

4-Fluoro-2-(trifluoromethyl)benzenemethanamine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)C(F)(F)F)CN
• Uses: 4-Fluoro-2-(trifluoromethyl)benzylamine is used for preparation of heterocycle-substituted amide derivatives as ACAT inhibitors for pharmaceuticals compositions.

Technology Process of 4-Fluoro-2-(trifluoromethyl)benzylamine

There total 1 articles about 4-Fluoro-2-(trifluoromethyl)benzylamine 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-fluoro-2-(trifluoromethyl)benzonitrile (194853-86-6) → (4-fluoro-2-(trifluoromethyl)phenyl)methanamine (202522-22-3)

Guidance literature:

With hydrogen; Raney Ni; In ethanol; under 2585.81 Torr;

Reference yield: 97.0%

(4-fluoro-2-(trifluoromethyl)phenyl)methanamine (202522-22-3) → (E)-N-[4-fluoro-2-(trifluoromethyl)benzyl]-1-[4-fluoro-2-(trifluoromethyl)phenyl]-methanimine

Guidance literature:

With S₈ stabilised CuO and Cu₂O nanoparticle; air; In neat (no solvent); at 20 ℃; for 24h;

DOI:10.1039/d0ta12621g

Reference yield: 91.0%

4-chloro-6-methoxy-2-methylquinoline (50593-73-2) + (4-fluoro-2-(trifluoromethyl)phenyl)methanamine (202522-22-3) → N-[4-fluoro-2-(trifluoromethyl)benzyl]-6-methoxy-2-methylquinolin-4-amine

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,4-dioxane; at 110 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.1c01609

upstream raw materials:

4-fluoro-2-(trifluoromethyl)benzonitrile

Downstream raw materials:

4-(4-fluoro-2-trifluoromethyl-benzylamino)-piperidine-l-carboxylic acid tert-butyl ester

2-(5-(4-fluoro-2-(trifluoromethyl)benzylamino)-4'-(trifluoromethyl)biphenyl-3-yl)-4-methylpentanoic acid ethyl ester

N-{[4-fluoro-2-(trifluoromethyl)phenyl]methyl}-2-(2-methylpropyl)-3-isothiazolidinecarboxamide 1,1-dioxide

C₉H₅F₄NO

Refernces

• 1、 -. "Tricyclic Compounds As mPGES-1 Inhibitors". Page/Page column 36. . Retrieved 2012/05/07.