alpha-(Trifluoromethyl)phenylalanine

Base Information

Chemical Name:alpha-(Trifluoromethyl)phenylalanine
CAS No.:129939-31-7
Molecular Formula:C10H10F3NO2
Molecular Weight:233.19
Hs Code.:
DSSTox Substance ID:DTXSID601292365
Nikkaji Number:J2.987.971K

Synonyms:ALPHA-(TRIFLUOROMETHYL)PHENYLALANINE;129939-31-7;(S)-2-amino-2-benzyl-3,3,3-trifluoropropanoic acid;alpha-(Trifluoromethyl)-L-phenylalanine;SCHEMBL188856;RDQOEQUFZYLLRT-VIFPVBQESA-N;DTXSID601292365;AB42544

Suppliers and Price of alpha-(Trifluoromethyl)phenylalanine

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of alpha-(Trifluoromethyl)phenylalanine

Chemical Property:

XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:233.06636305
Heavy Atom Count:16
Complexity:261

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC(C(=O)O)(C(F)(F)F)N
Isomeric SMILES:C1=CC=C(C=C1)C[C@](C(=O)O)(C(F)(F)F)N

Technology Process of alpha-(Trifluoromethyl)phenylalanine

There total 10 articles about alpha-(Trifluoromethyl)phenylalanine 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: 85.0%

: 1332462-08-4
(S)-2-benzyl-3,3,3-trifluoro-2-(((R)-2-methoxy-1-phenylethyl)amino)propanoic acid

: 129939-31-7
(S)-2-amino-2-benzyl-3,3,3-trifluoropropanoic acid

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 24h; under 7600.51 Torr;
DOI:10.1016/j.tetlet.2011.07.006

Reference yield:

: 184636-50-8
(S)-2-Amino-2-benzyl-3,3,3-trifluoro-propionic acid methyl ester

: 129939-31-7
(S)-2-amino-2-benzyl-3,3,3-trifluoropropanoic acid

Guidance literature:: With hydrogenchloride; potassium hydroxide; Dowex 50W-X₈; Yield given. Multistep reaction; 1.) MeOH, H₂O, r.t., 7 h; 3.) 7.5 percent aq. NH₃;

Reference yield:

: 6921-34-2
benzylmagnesium chloride

: 129939-31-7
(S)-2-amino-2-benzyl-3,3,3-trifluoropropanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: tetrahydrofuran / -70 °C

2: TFA / methanol

3: aq. KOH / methanol

With potassium hydroxide; trifluoroacetic acid; In tetrahydrofuran; methanol; 1: Addition / 2: Acidolysis / 3: Hydrolysis;
DOI:10.1080/10426509908546463