Methyl({1-[3-(trifluoromethyl)phenyl]ethyl})amine

Base Information

• Chemical Name: Methyl({1-[3-(trifluoromethyl)phenyl]ethyl})amine
• CAS No.: 118761-99-2
• Molecular Formula: C10H12F3N
• Molecular Weight: 203.207
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID60588177
• Mol file: 118761-99-2.mol

Synonyms:118761-99-2;methyl({1-[3-(trifluoromethyl)phenyl]ethyl})amine;Methyl((1-[3-(trifluoromethyl)phenyl]ethyl))amine;N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine;N-Methyl-1-(3-(trifluoromethyl)phenyl)ethanamine;N-Methyl-1-[3-(trifluoromethyl)phenyl]ethylamine;alpha,N-Dimethyl-3-(trifluoromethyl)benzylamine;(+/-)-Alpha,N-dimethyl-3-(trifluoromethyl)benzylamine;SCHEMBL12296386;DTXSID60588177;JRSKXURJVQNHMS-UHFFFAOYSA-N;MFCD09043460;AKOS000127495;AKOS017283304;MCULE-5227623106;SB77642;NCGC00374101-01;DB-308390;EN300-33224;Methyl-1-[3-(trifluoromethyl)phenyl]ethylamine;N12532;N-Methyl-1-[3-(trifluoromethyl)phenyl]ethan-1-amine;Z159528236

Chemical Property of Methyl({1-[3-(trifluoromethyl)phenyl]ethyl})amine

Chemical Property:

• PSA: 12.03000
• LogP: 3.37670
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.09218387
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

Methyl({1-[3-(trifluoromethyl)phenyl]ethyl})amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=CC=C1)C(F)(F)F)NC

Technology Process of Methyl({1-[3-(trifluoromethyl)phenyl]ethyl})amine

There total 2 articles about Methyl({1-[3-(trifluoromethyl)phenyl]ethyl})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:

N-methyl-[1-(3'-trifluoromethylphenyl)ethylidene]amine (118797-81-2) → methyl-[1-(3-trifluoromethyl-phenyl)ethyl]amine (118761-99-2,1212264-66-8)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.201504052

Reference yield:

3'-(trifluoromethyl)acetophenone (349-76-8) → methyl-[1-(3-trifluoromethyl-phenyl)ethyl]amine (118761-99-2,1212264-66-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 96 h / 20 °C / Schlenk technique; Sealed tube; Inert atmosphere; Molecular sieve

2: sodium tetrahydroborate; methanol / 20 °C

With methanol; sodium tetrahydroborate; In ethanol;

DOI:10.1002/anie.202006557

Reference yield: 41.0%

bis(trichloromethyl) carbonate (32315-10-9) + (1S,8aS)-7,7-diallyl-1-o-tolylhexahydropyrrolo[1,2-a]pyrazine-6(7H)-one (1453069-67-4) + methyl-[1-(3-trifluoromethyl-phenyl)ethyl]amine (118761-99-2,1212264-66-8) → (1S,8aS)-7,7-diallyl-N-methyl-6-oxo-1-o-tolyl-N-((R)-1-(3-(trifluoromethyl)phenyl)ethyl)hexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide (1453069-99-2)

Guidance literature:

bis(trichloromethyl) carbonate; (1S,8aS)-7,7-diallyl-1-o-tolylhexahydropyrrolo[1,2-a]pyrazine-6(7H)-one; With dmap; triethylamine; In ethyl acetate; at 0 ℃; for 1.5h;

methyl-[1-(3-trifluoromethyl-phenyl)ethyl]amine; With triethylamine; In ethyl acetate; at 50 ℃; for 48h;

upstream raw materials:

N-methyl-[1-(3'-trifluoromethylphenyl)ethylidene]amine

3'-(trifluoromethyl)acetophenone

Downstream raw materials:

(1S,8aS)-7,7-diallyl-N-methyl-6-oxo-1-o-tolyl-N-((R)-1-(3-(trifluoromethyl)phenyl)ethyl)hexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide