(1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine

Base Information

• Chemical Name: (1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine
• CAS No.: 84499-73-0
• Molecular Formula: C9H10F3N
• Molecular Weight: 189.18
• Hs Code.: 2921490090
• European Community (EC) Number: 817-195-0
• DSSTox Substance ID: DTXSID10381251
• Nikkaji Number: J1.245.135K
• Wikidata: Q72512364
• Mol file: 84499-73-0.mol

Synonyms:84499-73-0;(1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine;(S)-1-[4-(Trifluoromethyl)phenyl]ethylamine;(S)-1-(4-(trifluoromethyl)phenyl)ethanamine;(1S)-1-[4-(trifluoromethyl)phenyl]ethanamine;(1S)-1-[4-(trifluoromethyl)phenyl]ethan-1-amine;MFCD03093009;(s)-1-(4-(trifluoromethyl)phenyl)ethylamine;SCHEMBL335039;DTXSID10381251;GUMZDWPMXGQNBG-LURJTMIESA-N;CS-B0008;AKOS010400805;AKOS015840100;PS-8411;AC-26381;EN300-82560;Y10214;(S)-alpha-Methyl-4-(trifluoromethyl)benzylamine;A840820

Chemical Property of (1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine

Chemical Property:

• Vapor Pressure: 5.09mmHg at 25°C
• Refractive Index: 1.285
• Boiling Point: 203.9 °C at 760 mmHg
• Flash Point: 82.9 °C
• PSA: 26.02000
• Density: 1.18 g/cm³
• LogP: 3.42540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 189.07653381
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

(S)-1-[4-(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=C(C=C1)C(F)(F)F)N
• Isomeric SMILES: C[C@@H](C1=CC=C(C=C1)C(F)(F)F)N

Technology Process of (1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine

There total 13 articles about (1S)-1-[4-(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: 82.0%

(Ss)-2-methyl-N-{(S)-1-[4-(trifluoromethyl)phenyl]ethyl}-propane-2-sulfinamide → (S)-N-[α-ethyl-4-(trifluoromethyl)benzyl]amine (84499-73-0)

Guidance literature:

With hydrogenchloride; In methanol; water; at 20 ℃; for 2h;

Reference yield: 72.0%

(S)-N-[α-methyl-4-(trifluoromethyl)benzyl] (R)-2-acetoxy-2-phenylethanamide (581812-91-1) → (S)-N-[α-ethyl-4-(trifluoromethyl)benzyl]amine (84499-73-0)

Guidance literature:

With hydrogen bromide; Heating;

DOI:10.1016/j.bmcl.2007.04.105

Reference yield:

(S)-1-phenyl-N-((S)-1-(4-(trifluoromethyl)phenyl)ethyl)ethan-1-amine (437762-12-4) + ((S)-1-Phenyl-ethyl)-[(R)-1-(4-trifluoromethyl-phenyl)-ethyl]-amine (444643-05-4) → (S)-N-[α-ethyl-4-(trifluoromethyl)benzyl]amine (84499-73-0) + (R)-N-[α-ethyl-4-(trifluoromethyl)benzyl]amine (578027-35-7)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In methanol; at 60 ℃; for 12.7h; under 3750.38 Torr; Heating;

upstream raw materials:

(S)-2-Acetylamino-4-methyl-pentanoic acid; compound with (S)-1-(4-trifluoromethyl-phenyl)-ethylamine

(S)-1-phenyl-N-((S)-1-(4-(trifluoromethyl)phenyl)ethyl)ethan-1-amine

(S)-N-[α-methyl-4-(trifluoromethyl)benzyl] (R)-2-acetoxy-2-phenylethanamide

1-(4-trifluoromethylphenyl)ethanone

Downstream raw materials:

5-isopropyl-2-((S)-1-(4-(trifluoromethyl)phenyl)-ethylamino)thiazol-4(5H)-one

6-(tert-butoxycarbonyl)-2-(S)-{1-[4-(trifluoromethyl)phenyl]ethylamino}-3-propargyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-(3H)-one

6-(tert-butoxycarbonyl)-2-(S)-{1-[4-(trifluoromethyl)phenyl]ethylamino}-3-dimethylamino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-(3H)-one

6-(tert-butoxycarbonyl)-2-(S)-{1-[4-(trifluoromethyl)phenyl]ethylamino}-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-(3H)-one

Refernces

• 1、 Martínez-Montero, Lía,Gotor, Vicente,Gotor-Fernández, Vicente,Lavandera, Iván. "Stereoselective amination of racemic sec-alcohols through sequential application of laccases and transaminases". supporting information. p. 474 - 480. Retrieved 2017/06/23.
• 2、 -. "N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG". Page/Page column 185. . Retrieved 2012/12/14.