31105-90-5

Basic information

• Product Name: L-3,4-DIFLUOROPHENYLALANINE
• Synonyms: RARECHEM BK PT 0121;(S)-2-AMINO-3-(3,4-DIFLUORO-PHENYL)-PROPIONIC ACID;H-PHE(3,4-DIF)-OH;H-PHE(3,4-F 2)-OH;L-3,4-DIFLUOROPHE;L-3,4-DIFLUOROPHENYLALANINE;H-D-PHE(M,P-F2)-OH;H-3,4-DIFLUORO-L-PHE-OH
• CAS NO: 31105-90-5
• Molecular Formula: C₉H₉F₂NO₂
• Molecular Weight: 201.17
• EINECS: 200-528-9
• Product Categories: Amino Acids;Phenylalanine analogs and other aromatic alpha amino acids
• Mol File: 31105-90-5.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 311.9 °C at 760 mmHg
• Flash Point: 142.5 °C
• Appearance: /
• Density: 1.379±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0.000234mmHg at 25°C
• Refractive Index: 1.536
• Storage Temp.: Store at 0-5°C
• PKA: 2.16±0.20(Predicted)
• CAS DataBase Reference: L-3,4-DIFLUOROPHENYLALANINE(CAS DataBase Reference)
• NIST Chemistry Reference: L-3,4-DIFLUOROPHENYLALANINE(31105-90-5)
• EPA Substance Registry System: L-3,4-DIFLUOROPHENYLALANINE(31105-90-5)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 31105-90-5(Hazardous Substances Data)

Usage

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

Upstream product

• 266360-51-4 2-acetylamino-3-(3,4-difluoro-phenyl)-propionic acid 
• 15017-45-5 2-Acetylamino-2-(3,4-difluorobenzyl)malonic acid diethyl ester 
• 85118-01-0 alpha-bromo-3,4-difluorotoluene 
• 152152-17-5 3-(3,4-difluorophenyl)-2-propenoic acid 
• 34036-07-2 3,4 difluorobenzaldehyde 
• 112897-97-9 (E)-3-(3,4-difluorophenyl)acrylic acid 

Downstream Products

• 198474-90-7 (S)-2-((tert-butoxycarbonyl)amino)-3-(3,4-difluorophenyl)propanoic acid 
• 1364867-97-9 (+)-2-amino-3-(3,4-difluoro)-phenyl-propan-1-ol 

Relevant articles and documents

Telescopic one-pot condensation-hydroamination strategy for the synthesis of optically pure L-phenylalanines from benzaldehydes

A chemo-enzymatic telescopic approach was designed for the synthesis of L-arylalanines in high yield and optical purity, starting from commercially available and inexpensive substituted benzaldehydes. The method exploits a chemical Knoevenagel–Doebner condensation (optimised to give complete conversions in a short reaction time, employing microwave irradiation) and a biocatalytic phenylalanine ammonia lyase mediated hydroamination (for the stereoselective addition of ammonia). The two reactions can be run sequentially in one pot, bringing together the advantages of chemical and biological catalysis. The preparative applicability was demonstrated with the synthesis of five L-dihalophenylalanines (71–84% yield, 98–99% ee) of relevance as molecular probes, for medicinal chemistry and for the synthesis of pharmaceutical ingredients.

Synthesis of a complete set of L-difluorophenylalanines, L-(F2)Phe, as molecular explorers for the CH/π interaction between peptide ligand and receptor

A complete set of difluorophenylalanines in the L-configuration [L- (F2)Phe] (namely, L-(2,3-F2)Phe, L-(2,4-F2)Phe, L-(2,5-F2)Phe, L-(2,6- F2)Phe, L-(3,4-F2)Phe, L-(3,5-F2)Phe) w