3321-96-8

Basic information

• Product Name: 2-AMINO-3-PENTAFLUOROPHENYL-PROPIONIC ACID
• Synonyms: 2-AMINO-3-PENTAFLUOROPHENYL-PROPIONIC ACID;2,3,4,5,6-PENTAFLUORO-DL-PHENYLALANINE;2,3,4,5,6-PENTAFLUORO-D,L-PHENYLANALINE;2,3,4,5,6-pentafluoro-phenylalanine;DL-Pentafluorophenylalanine;(Pentafluorophenyl) alanine;3-(Pentafluorophenyl)-DL-alanine;2-Amino-3-(pentafluorophenyl)propanoic acid, 2-Amino-3-(pentafluorophenyl)propionic acid
• CAS NO: 3321-96-8
• Molecular Formula: C₉H₆F₅NO₂
• Molecular Weight: 255.14
• Mol File: 3321-96-8.mol
• Article Data: 1

Chemical Properties

• Melting Point: 254-258°C
• Boiling Point: 286.3°Cat760mmHg
• Flash Point: 126.9°C
• Appearance: /
• Density: 1.609g/cm³
• PKA: 2.12±0.40(Predicted)
• CAS DataBase Reference: 2-AMINO-3-PENTAFLUOROPHENYL-PROPIONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-AMINO-3-PENTAFLUOROPHENYL-PROPIONIC ACID(3321-96-8)
• EPA Substance Registry System: 2-AMINO-3-PENTAFLUOROPHENYL-PROPIONIC ACID(3321-96-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 3321-96-8(Hazardous Substances Data)

Usage

General Description

2-Amino-3-pentafluorophenyl-propionic acid is a chemical compound that belongs to the class of organic compounds known as phenylpropanoic acids. It consists of a phenyl ring with a pentafluorine-substituted amino group attached to the third position of the propionic acid moiety. 2-AMINO-3-PENTAFLUOROPHENYL-PROPIONIC ACID is used as an intermediate in the synthesis of pharmaceuticals and agrochemicals, particularly in the production of various drugs and chemical substances. It has potential application in the treatment of certain medical conditions, but further research is needed to fully understand its properties and potential uses.

Upstream product

• 1765-40-8 (bromomethyl)pentafluorobenzene 
• 771-56-2 2,3,4,5,6-pentafluorotoluene 
• 1068-90-2 2-acetylaminomalonic acid diethyl ester 
• 18944-76-8 2-acetylamino-2-pentafluorophenylmethyl-malonic acid diethyl ester 

Downstream Products

• 151962-26-4 (R,S)-N-phenylacetyl-pentafluorophenylalanine 
• 34702-59-5 2',3',4',5',6'-Pentafluoro-L-phenylalanine 
• 40332-58-9 (2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid 

Relevant articles and documents

19F and 1H NMR of Aldimines of Fluoroamino Acids with Pyridoxal-5'-phosphate

1H and 19F NMR spectra were obtained for six Schiff bases (aldimines)formed by pyridoxal-5'-phosphate (PLP) with four fluorinated or their two parent non-fluorinated α-amino acids (phenylalanine and α-aminobutyric acid). pKA Values were derived from 1H and 19F titration curves.The imine nitrogen of the aldimines is very basic (ca. 13) and sensitive to the electron withdrawing effect of fluorine.The pyridine nitrogen is less basic in the aldimines (ca. 7) than in PLP (8.12) and is less sensitive to the electron withdrawing effect of the fluorine than is the imine nitrogen.The phosphate group has a pK in the same range (ca. 6) and the chemical shifts of some nuclei are sensitive to both pK values.Protonation of the aldimine causes the 1H signal to shift downfield at the methyl protons of the pyridine ring and at the aldehydic proton of the aldimine for the high pK value (except for the aldimines prepared from the β-fluorophenylalanine), but upfield at the aromatic proton and at the aldehydic proton of the aldimine for the low pK.Protonation of the aldimine causes the 19F signal of an aryl fluorine to shift downfield but gives an upfield shift at a β-fluorine.These data are related to the highly conjugated electronic structure of the Schiff bases.