(S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine

Base Information

• Chemical Name: (S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine
• CAS No.: 511256-36-3
• Molecular Formula: C11H11F6N
• Molecular Weight: 271.205
• Hs Code.: 2921490090
• DSSTox Substance ID: DTXSID40469394
• Wikidata: Q72488311
• Mol file: 511256-36-3.mol

Synonyms:511256-36-3;(S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine;(S)-1-(3,5-bis(trifluoromethyl)phenyl)-N-methylethanamine;(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-N-methylethanamine;[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl](methyl)amine;(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-ethanamine;SCHEMBL3154962;DTXSID40469394;MFCD07779108;AKOS015850627;PS-7279;CS-0180969;A821778;[(S)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amine

Chemical Property of (S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine

Chemical Property:

• Vapor Pressure: 1.302mmHg at 25°C
• Refractive Index: 1.416
• Boiling Point: 172.879 °C at 760 mmHg
• PKA: 8.93±0.10(Predicted)
• Flash Point: 58.356 °C
• PSA: 12.03000
• Density: 1.259 g/cm³
• LogP: 4.39550
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 271.07956833
• Heavy Atom Count: 18
• Complexity: 250

Purity/Quality:

90.0%Min ^*data from raw suppliers

(S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)NC
• Isomeric SMILES: C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)NC

Technology Process of (S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine

There total 14 articles about (S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine 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: 100.0%

[(S)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethyl]-methyl-((S)-1-phenyl-ethyl)-amine (511256-31-8) → (S)-1-(3,5-bis(trifluoromethyl)phenyl)-N-methylethanamine (511256-36-3)

Guidance literature:

With water; hydrogen; palladium on activated charcoal; In methanol; at 60 ℃; for 12h; under 3750.3 Torr;

DOI:10.1021/ol034014w

Reference yield: 75.0%

(R)-N-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-N,2-dimethylpropane-2-sulfinamide (1453070-37-5) → (S)-1-(3,5-bis(trifluoromethyl)phenyl)-N-methylethanamine (511256-36-3)

Guidance literature:

With hydrogenchloride; In methanol; for 0.25h; Inert atmosphere;

Reference yield: 73.0%

→ (S)-1-(3,5-bis(trifluoromethyl)phenyl)-N-methylethanamine (511256-36-3)

Guidance literature:

upstream raw materials:

[(S)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethyl]-methyl-((S)-1-phenyl-ethyl)-amine

3,5-bis(trifluoromethyl)phenyl methyl ketone

[1-(3,5-Bis-trifluoromethyl-phenyl)-eth-(E)-ylidene]-((S)-1-phenyl-ethyl)-amine

[(S)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethyl]-((S)-1-phenyl-ethyl)-amine

Downstream raw materials:

2-(R)-(4-fluoro-2-methyl-phenyl)-4-oxo-piperidine-1-carboxylic acid [1-(S)-(3,5-bis-trifluoromethyl-phenyl)ethyl]-methylamide

1,1-dimethylethyl-4-[3-[{(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}(methyl)amino]-1-(4-fluorophenyl)-3-oxopropylidene]-1-piperidinecarboxylate

1,1-dimethylethyl-4-[3-[{(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}(methyl)amino]-1-(4-fluorophenyl)-3-oxopropyl]-1-piperidinecarboxylate

1,1-dimethylethyl-4-[3-[{(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}(methyl)amino]-1-(4-fluorophenyl)-3-oxopropyl]-4-fluoro-1-piperidinecarboxylate

Refernces

• 1、 -. "NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS". . . Retrieved 2013/09/12.
• 2、 -. "CATALYST COMPOSITIONS AND THEIR USE IN THE DE-ENRICHMENT OF ENANTIOMERICALLY ENRICHED SUBSTRATES". Page/Page column 22-23. . Retrieved 2008/06/13.