ChemicalBook--->CAS DataBase List--->31105-91-6

31105-91-6

31105-91-6 Structure

31105-91-6 Structure
IdentificationMore
[Name]

L-3,5-DIFLUOROPHE
[CAS]

31105-91-6
[Synonyms]

3,5-DIFLUORO-L-PHENYLALANINE
H-PHE(3,5-DIF)-OH
H-PHE(3,5-F2)-OH
H-PHE(M-F2)-OH
L-3,5-DIFLUOROPHE
L-(3,5-DIFLUORO-PHENYL)ALANINE
(S)-2-AMINO-3-(3,5-DIFLUORO-PHENYL)-PROPIONIC ACID
1(S)-2-AMINO-3-(3,5-DIFLUOROPHENYL)PROPANOIC ACID
3-(3,5-DIFLUOROPHENYL)-L-ALANINE
L-3,5-Difluoro-phe-OH
[EINECS(EC#)]

200-528-9
[Molecular Formula]

C9H9F2NO2
[MDL Number]

MFCD01631987
[Molecular Weight]

201.17
[MOL File]

31105-91-6.mol
Chemical PropertiesBack Directory
[Boiling point ]

295.1±40.0 °C(Predicted)
[density ]

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

Store at 0-5°C
[solubility ]

Methanol (Slightly), Water (Slightly)
[form ]

Solid
[pka]

2.13±0.20(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1
[InChIKey]

QFGMPXZFCIHYIR-QMMMGPOBSA-N
[SMILES]

C(O)(=O)[C@H](CC1=CC(F)=CC(F)=C1)N
[CAS DataBase Reference]

31105-91-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P261-P280-P305+P351+P338-P304+P340-P405
[HS Code ]

2922498590
Hazard InformationBack Directory
[Chemical Properties]

Cream colored powder
[Uses]

H-Phe(3,5-DiF)-OH is a difluorophenylalanines in the L-configuration [L-(F2)Phe]. H-Phe(3,5-DiF)-OH can be incorporated into the thrombin receptor-tethered ligand peptide SFLLRNP to identify the phenyl hydrogens of the Phe-2 residue involved in the CH/π receptor interaction[1].
[References]

[1] Fujita T, et al. Synthesis of a complete set of l-difluorophenylalanines, l-(F2)Phe, as molecular explorers for the CH/π interaction between peptide ligand and receptor. Tetrahedron Letters. 2000, 41(6):923-927.
Spectrum DetailBack Directory
[Spectrum Detail]

L-3,5-DIFLUOROPHE(31105-91-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3,5-Difluoro-L-phenylalanine, 98%(31105-91-6)
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