ChemicalBook--->CAS DataBase List--->5241-58-7

5241-58-7

5241-58-7 Structure

5241-58-7 Structure
IdentificationMore
[Name]

H-PHE-NH2
[CAS]

5241-58-7
[Synonyms]

H-L-PHE-NH2
H-PHE-NH2
L-PHENYLALANINAMIDE
L-PHENYLALANINE AMIDE
PHENYLALANINE-NH2
L-phenylalaninamide free base
H-Phe-Nh
2-Amino-3-phenylpropanamide
α-Aminobenzenepropionamide
[Molecular Formula]

C9H12N2O
[MDL Number]

MFCD00038146
[Molecular Weight]

164.2
[MOL File]

5241-58-7.mol
Chemical PropertiesBack Directory
[Melting point ]

93-95°C
[Boiling point ]

356.9±35.0 °C(Predicted)
[density ]

1.143±0.06 g/cm3(Predicted)
[storage temp. ]

−20°C
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

Powder
[pka]

15.85±0.50(Predicted)
[color ]

White
[Optical Rotation]

Consistent with structure
[BRN ]

6270941
[Major Application]

detection
[InChI]

1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1
[InChIKey]

OBSIQMZKFXFYLV-QMMMGPOBSA-N
[SMILES]

N[C@@H](Cc1ccccc1)C(N)=O
[CAS DataBase Reference]

5241-58-7(CAS DataBase Reference)
Safety DataBack Directory
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

Protected amino acid
[Definition]

ChEBI: An amino acid amide derived from L-phenylalanine.
[Biological Activity]

L-Phenylalaninamide is a chiral selector.
[Synthesis]

Methyl L-phenylalaninate hydrochloride

7524-50-7

H-PHE-NH2

5241-58-7

General procedure for the synthesis of (S)-2-amino-3-phenylpropionamide from L-phenylalanine methyl ester hydrochloride: intermediate 1 (L-phenylalanine methyl ester hydrochloride) was dissolved in 20% aqueous ammonia solution and the reaction was stirred for 20 hours at room temperature. Upon completion of the reaction, 50 mL of ethyl acetate was added to the reaction mixture and three extraction operations were performed. All organic phases were combined and the solvent was removed by rotary evaporator to afford Intermediate 2 ((S)-2-amino-3-phenylpropionamide) as a white solid in 2.5 g yield, 76%.

[References]

[1] Helvetica Chimica Acta, 2004, vol. 87, # 5, p. 1077 - 1089
[2] Organic and Biomolecular Chemistry, 2012, vol. 10, # 30, p. 6074 - 6086
[3] Chemistry - An Asian Journal, 2011, vol. 6, # 6, p. 1321 - 1324
[4] Bulletin de la Societe Chimique de France, 1989, # 5, p. 673 - 676
[5] Patent: CN108610292, 2018, A. Location in patent: Paragraph 0041; 0051; 0052
Spectrum DetailBack Directory
[Spectrum Detail]

H-PHE-NH2(5241-58-7)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

5241-58-7(sigmaaldrich)
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