2-Methyl-1-(4-(trifluoromethyl)phenyl)propan-2-amine

Base Information

• Chemical Name: 2-Methyl-1-(4-(trifluoromethyl)phenyl)propan-2-amine
• CAS No.: 459-00-7
• Molecular Formula: C11H14F3N
• Molecular Weight: 217.234
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID80276241
• Nikkaji Number: J389.002C
• Wikidata: Q82006653
• ChEMBL ID: CHEMBL4981488
• Mol file: 459-00-7.mol

Synonyms:2-methyl-1-(4-(trifluoromethyl)phenyl)propan-2-amine;459-00-7;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-amine;SCHEMBL1721099;CHEMBL4981488;DTXSID80276241;AKOS011913004;AB68833;CS-0006492;EN300-170888

Chemical Property of 2-Methyl-1-(4-(trifluoromethyl)phenyl)propan-2-amine

Chemical Property:

• PSA: 26.02000
• LogP: 3.68550
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 217.10783394
• Heavy Atom Count: 15
• Complexity: 202

Purity/Quality:

≥95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CC1=CC=C(C=C1)C(F)(F)F)N

Technology Process of 2-Methyl-1-(4-(trifluoromethyl)phenyl)propan-2-amine

There total 4 articles about 2-Methyl-1-(4-(trifluoromethyl)phenyl)propan-2-amine 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: 93.0%

→ 2-methyl-1-(4-(trifluoromethyl)phenyl)propan-2-amine (459-00-7)

Guidance literature:

Reference yield:

1-(2-azido-2-methylpropyl)-4-(trifluoromethyl)benzene (1379575-71-9) → 2-methyl-1-(4-(trifluoromethyl)phenyl)propan-2-amine (459-00-7)

Guidance literature:

With palladium hydroxide, 20 wt% on carbon; hydrogen; In ethyl acetate; at 20 ℃; for 18h;

Reference yield:

2-methyl-1-(4-(trifluoromethyl)phenyl)propan-2-ol (864878-71-7) → 2-methyl-1-(4-(trifluoromethyl)phenyl)propan-2-amine (459-00-7)

Guidance literature:

Multi-step reaction with 2 steps

1: trimethylsilylazide; boron trifluoride diethyl etherate / dichloromethane / 20 h / 20 °C / Cooling with ice

2: palladium hydroxide, 20 wt% on carbon; hydrogen / ethyl acetate / 18 h / 20 °C

With trimethylsilylazide; palladium hydroxide, 20 wt% on carbon; boron trifluoride diethyl etherate; hydrogen; In dichloromethane; ethyl acetate;

upstream raw materials:

N-[1,1-dimethyl-2-(4-trifluoromethyl-phenyl)-ethyl]-formamide

1-(2-azido-2-methylpropyl)-4-(trifluoromethyl)benzene

2-methyl-1-(4-(trifluoromethyl)phenyl)propan-2-ol

Downstream raw materials:

tert-butyl 2-(2-methyl-1-(4-(trifluoromethyl)phenyl)propan-2-yl)hydrazinecarboxylate