218608-99-2

Basic information

• Product Name: BOC-(S)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRIC ACID
• Synonyms: BOC-(S)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOIC ACID;BOC-(S)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRIC ACID;BOC-PHE(2-F)-(C*CH2)OH;BOC-2-FLUORO-L-BETA-HOMOPHENYLALANINE;BOC-BETA-HOPHE(2-F)-OH;BETA-T-BUTOXYCARBONYL-L-HOMO(2-FLUOROPHENYL)ALANINE;N-T-BUTOXYCARBONYL-(S)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOIC ACID;RARECHEM AK PT B069
• CAS NO: 218608-99-2
• Molecular Formula: C15H20FNO4
• Molecular Weight: 297.32
• Product Categories: 3-Amino-4-phenylbutyric Acid Analogs;3-Amino-4-phenylbutanoic Acid Analogs;B-Amino
• Mol File: 218608-99-2.mol

Chemical Properties

• Boiling Point: 429.94 °C at 760 mmHg
• Flash Point: 213.821 °C
• Appearance: /
• Density: 1.214 g/cm³
• Vapor Pressure: 1.01E-08mmHg at 25°C
• Refractive Index: 1.514
• Storage Temp.: 2-8°C
• PKA: 4.38±0.10(Predicted)
• CAS DataBase Reference: BOC-(S)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: BOC-(S)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRIC ACID(218608-99-2)
• EPA Substance Registry System: BOC-(S)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRIC ACID(218608-99-2)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 218608-99-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Development:
BOC-(S)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRIC ACID is used as a chemical intermediate for the synthesis of complex molecules and drugs, contributing to the advancement of pharmaceutical research and development.
Used in Chemical and Biological Experiments:
In the fields of chemistry and biochemistry, BOC-(S)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRIC ACID is used as a reagent in various chemical and biological experiments, facilitating the exploration of new chemical reactions and biological processes.

InChI:InChI=1/C15H20FNO4/c1-15(2,3)21-14(20)17-11(9-13(18)19)8-10-6-4-5-7-12(10)16/h4-7,11H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1

Upstream product

• 114873-10-8 N-Boc-D-2-F-Phe 

Downstream Products

• 872322-53-7 tert-butyl ((1R)-1-(2-fluorobenzyl)-3-oxo-3-[(2-oxo-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl)amino]propyl)carbamate 
• 872322-47-9 tert-butyl {(1R)-1-(2-fluorobenzyl)-3-oxo-3-[(2-oxo-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl)amino]propyl}carbamate 
• 872322-62-8 tert-butyl {(1R)-1-(2-fluorobenzyl)-3-[(1-methyl-2-oxo-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl)amino]-3-oxopropyl}carbamate 
• 872322-45-7 tert-butyl {(1R)-1-(2-fluorobenzyl)-3-oxo-3-[(2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)amino]propyl}carbamate 

Relevant articles and documents

Discovery of potent and selective β-homophenylalanine based dipeptidyl peptidase IV inhibitors

Modification of in-house screening lead β-aminoacyl proline 8 gave an equipotent thiazolidide 9. Extensive SAR studies on the phenyl ring of 9 led to the discovery of a novel series of potent and selective DP-IV inhibitors. Introduction of a fluorine at the 2-position proved to be crucial for the potency of this series. The 2,5-difluoro (22q) and 2,4,5-trifluoro (22t) analogues were potent inhibitors of DP-IV (IC50 = 270, 119 nM, respectively).