(R)-1-(2-(Trifluoromethyl)phenyl)ethanamine

Base Information

• Chemical Name: (R)-1-(2-(Trifluoromethyl)phenyl)ethanamine
• CAS No.: 127733-46-4
• Molecular Formula: C9H10F3N
• Molecular Weight: 189.18
• Hs Code.: 2921490090
• European Community (EC) Number: 692-032-2
• DSSTox Substance ID: DTXSID40381249
• Nikkaji Number: J3.191.492B
• Wikidata: Q72512366
• Mol file: 127733-46-4.mol

Synonyms:127733-46-4;(R)-1-(2-(TRIFLUOROMETHYL)PHENYL)ETHANAMINE;(1R)-1-[2-(trifluoromethyl)phenyl]ethanamine;(R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE;(1R)-1-[2-(trifluoromethyl)phenyl]ethylamine;(1R)-1-[2-(trifluoromethyl)phenyl]ethan-1-amine;(R)-1-(2-(trifluoromethyl)phenyl)ethan-1-amine;(r)-1-(2-(trifluoromethyl)phenyl)ethylamine;Benzenemethanamine, alpha-methyl-2-(trifluoromethyl)-, (alphaR)-;SCHEMBL1727762;Benzenemethanamine, -methyl-2-(trifluoromethyl)-, (R)-;DTXSID40381249;DPLIMKBGTYIUCB-ZCFIWIBFSA-N;MFCD03093003;AKOS010367746;AKOS015840357;DS-9382;CS-0000263;EN300-62674;A805743;(alphaR)-2-(Trifluoromethyl)-alpha-methylbenzenemethaneamine

Chemical Property of (R)-1-(2-(Trifluoromethyl)phenyl)ethanamine

Chemical Property:

• Boiling Point: 196.3 °C at 760 mmHg
• Flash Point: 78.8 °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: 167

Purity/Quality:

99%, ^*data from raw suppliers

(R)-1-[2-(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=C1C(F)(F)F)N
• Isomeric SMILES: C[C@H](C1=CC=CC=C1C(F)(F)F)N

Technology Process of (R)-1-(2-(Trifluoromethyl)phenyl)ethanamine

There total 3 articles about (R)-1-(2-(Trifluoromethyl)phenyl)ethanamine 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:

1-(2-(trifluoromethyl)phenyl)ethan-1-one (17408-14-9) → (R)-α-(o-(trifluoromethyl)phenyl)ethylamine (127733-46-4,273384-78-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium acetate hydrate / ethanol; H₂O / 20 h / Heating

2: borane, (S)-2-amino-3-methyl-1,1-diphenyl-1-butanol <(S)-3> / tetrahydrofuran

With borane; sodium acetate; 1,1-diphenyl-L-valinol; In tetrahydrofuran; ethanol; water;

Reference yield:

o-(trifluoromethyl)acetophenone O-methyloxime (127733-37-3) → O-Methyl-N-[1-(2-trifluoromethyl-phenyl)-ethyl]-hydroxylamine + (S)-α-(o-(trifluoromethyl)phenyl)ethylamine (127733-39-5,273384-78-4) + (R)-α-(o-(trifluoromethyl)phenyl)ethylamine (127733-46-4,273384-78-4)

Guidance literature:

With borane; 1,1-diphenyl-L-valinol; In tetrahydrofuran; Yields of byproduct given;

Reference yield:

(+/-)-α-(o-(trifluoromethyl)phenyl)ethyl alcohol (79756-81-3) → (R)-α-(o-(trifluoromethyl)phenyl)ethylamine (127733-46-4,273384-78-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; Trametes versicolor laccase / tert-butyl methyl ether / 16 h / 30 °C / pH 5 / Enzymatic reaction

2: isopropylamine; pyridoxal 5'-phosphate; transaminase ATA-024 / aq. phosphate buffer; dimethyl sulfoxide / 24 h / 30 °C / pH 7.5 / Enzymatic reaction

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; Trametes versicolor laccase; pyridoxal 5'-phosphate; transaminase ATA-024; isopropylamine; In aq. phosphate buffer; tert-butyl methyl ether; dimethyl sulfoxide;

DOI:10.1039/c6gc01981a

upstream raw materials:

o-(trifluoromethyl)acetophenone O-methyloxime

1-(2-(trifluoromethyl)phenyl)ethan-1-one

(+/-)-α-(o-(trifluoromethyl)phenyl)ethyl alcohol

Downstream raw materials:

C₁₁H₁₂F₃NO

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