ChemicalBook--->CAS DataBase List--->33787-05-2

33787-05-2

33787-05-2 Structure

33787-05-2 Structure
IdentificationMore
[Name]

DL-2,6-DIFLUOROPHENYLALANINE
[CAS]

33787-05-2
[Synonyms]

H-Phe(2,6-F2)-OH
TIMTEC-BB SBB000398
H-DL-Phe(2,6-F2)-OH
2,6-DIFLUOROPHENYLALANINE
H-2,6-DIFLUORO-PHE-OH HCL
L-2,6-DIFLUOROPHENYL-ALANINE
DL-2,6-DIFLUOROPHENYLALANINE
2,6-DIFLUORO-L-PHENYLALANINE
2,6-DIFLUORO-DL-PHENYLALANINE
L-Phenylalanine, 2,6-difluoro-
2-AMINO-3-(2,6-DIFLUORO-PHENYL)-PROPIONIC ACID
(S)-2-amino-3-(2,6-difluorophenyl)propanoic acid
(S)-2-AMINO-3-(2,6-DIFLUORO-PHENYL)-PROPIONIC ACID
[Molecular Formula]

C9H9F2NO2
[MDL Number]

MFCD00061304
[Molecular Weight]

201.17
[MOL File]

33787-05-2.mol
Chemical PropertiesBack Directory
[Melting point ]

256 °C
[Boiling point ]

301.1±42.0 °C(Predicted)
[density ]

1.379±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

2.20±0.10(Predicted)
[Appearance]

off-white solid
[CAS DataBase Reference]

33787-05-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H320-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[Uses]

L-2,6-Difluorophenylalanine
[Synthesis]

Cbz-2,6-Difluoro-L-Phenylalanine

627910-22-9

DL-2,6-DIFLUOROPHENYLALANINE

33787-05-2

Step 4: (S)-2-phenoxymethylamino-3-(2,6-difluorophenyl)propanoic acid (2.2 g, 11 mmol) was dissolved in ethanol (25 mL) and 5% activated carbon loaded palladium catalyst (600 mg) was added. The hydrogenation reaction was carried out at 50 psi hydrogen pressure for 24 hours. Upon completion of the reaction, the catalyst was removed by Celite filtration and the solvent was evaporated under reduced pressure to give the crude product. The crude product was recrystallized from ether to give (S)-2-amino-3-(2,6-difluorophenyl)propionic acid (2.2 g, 80% yield). The product was identified by NMR hydrogen spectrum (DMSO-d6): δ 7.28 (m, 1H), 7.0 (t, J=7.6Hz, 2H), 2.77 (m, 2H). Mass spectrometry analysis showed: 202.2 (M+1), 199.7 (M-1).

[References]

[1] Patent: WO2005/28429, 2005, A2. Location in patent: Page/Page column 56
[2] Patent: WO2003/97617, 2003, A1. Location in patent: Page/Page column 43-44
[3] Patent: WO2004/108661, 2004, A1. Location in patent: Page/Page column 40
[4] Patent: WO2005/28454, 2005, A1. Location in patent: Page/Page column 43-44
[5] Patent: WO2006/34004, 2006, A2. Location in patent: Page/Page column 57
Spectrum DetailBack Directory
[Spectrum Detail]

DL-2,6-DIFLUOROPHENYLALANINE(33787-05-2)1HNMR
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