4-(4-Trifluoromethylphenyl)benzylamine

Base Information

• Chemical Name: 4-(4-Trifluoromethylphenyl)benzylamine
• CAS No.: 356058-18-9
• Molecular Formula: C14H12F3N
• Molecular Weight: 251.251
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID80395623
• Wikidata: Q82195804
• Mol file: 356058-18-9.mol

Synonyms:356058-18-9;4-(4-TRIFLUOROMETHYLPHENYL)BENZYLAMINE;[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanamine;{4-[4-(TRIFLUOROMETHYL)PHENYL]PHENYL}METHANAMINE;4'-(Trifluoromethyl)-biphenyl-4-methanamine;SCHEMBL2091314;DTXSID80395623;AKOS004117091;SB17874;4'-trifluoromethylbiphenyl-4-methylamine;CS-0433351;C78161;{[4'-(trifluoromethyl)-4-biphenylyl]methyl}amine;C-(4'-trifluoromethyl-biphenyl-4-yl)-methylamine;(4'-(Trifluoromethyl)[1,1'-biphenyl]-4-yl)methanamine

Chemical Property of 4-(4-Trifluoromethylphenyl)benzylamine

Chemical Property:

• Boiling Point: 320.4±42.0 °C(Predicted)
• PKA: 8.91±0.10(Predicted)
• PSA: 26.02000
• Density: 1.206±0.06 g/cm3(Predicted)
• LogP: 4.53140
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 251.09218387
• Heavy Atom Count: 18
• Complexity: 248

Purity/Quality:

95% ^*data from raw suppliers

4-[4-(TRIFLUOROMETHYL)PHENYL]BENZYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN)C2=CC=C(C=C2)C(F)(F)F

Technology Process of 4-(4-Trifluoromethylphenyl)benzylamine

There total 4 articles about 4-(4-Trifluoromethylphenyl)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: 85.0%

4-Bromobenzylamine (3959-07-7) + 4-trifluoromethylphenylboronic acid (128796-39-4) → (4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl)methanamine (356058-18-9)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 2-methyltetrahydrofuran; water; at 80 ℃; for 15h; Inert atmosphere;

Reference yield: 75.0%

→ (4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl)methanamine (356058-18-9)

Guidance literature:

Reference yield: 66.0%

4-(aminomethyl)phenylboronic acid hydrochloride + p-trifluoromethylphenyl bromide (402-43-7) → (4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl)methanamine (356058-18-9)

Guidance literature:

With dipotassium hydrogenphosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; at 120 ℃; for 14h; Inert atmosphere; Sealed tube;

upstream raw materials:

4'-(trifluoromethyl)-[1,1'-biphenyl]-4-carbonitrile

p-trifluoromethylphenyl bromide

4-Bromobenzylamine

4-trifluoromethylphenylboronic acid

Downstream raw materials:

2-[(4-fluorobenzenesulfonyl)(methyl)amino]-N-(4'-trifluoromethylbiphenyl-4-ylmethyl)acetamide

2-[ethyl-(4-fluorobenzenesulfonyl)amino]-N-(4'-trifluoromethylbiphenyl-4-ylmethyl)acetamide

2-[(4-fluorobenzenesulfonyl)(isopropyl)amino]-N-(4'-trifluoromethylbiphenyl-4-ylmethyl)acetamide

N-(4'-trifluoromethylbiphenyl-4-yl)methyl-4-(4'-trifluoromethyl-biphenyl-2-carbonyl-amino)-1-methyl-pyrrole-2-carboxylic acid amide