90580-64-6

Basic information

• Product Name: 4-BORONO-DL-PHENYLALANINE B10 ENRICHED
• Synonyms: 3-(p-boronophenyl)-alanin;3-(p-boronophenyl)alanine;p-(2-amino-2-carboxyethyl)-benzeneboronicaci;p-(2-amino-2-carboxyethyl)benzeneboronicacid;DL-4-PHENYLALANINEBORONIC ACID;2-AMINO-3-[4-(DIHYDROXYBORYL)PHENYL]PROPANOIC ACID;4-BORONO-DL-PHENYLALANINE;4-BORONO-DL-PHENYLALANINE B10 ENRICHED
• CAS NO: 90580-64-6
• Molecular Formula: C₉H₁₂BNO₄
• Molecular Weight: 209.01
• Product Categories: Boronic Acids
• Mol File: 90580-64-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 270 °C (dec.)(lit.)
• Boiling Point: 449.3 °C at 760 mmHg
• Flash Point: 225.5 °C
• Appearance: /solid
• Density: 1.34 g/cm³
• Storage Temp.: 2-8°C
• PKA: 2.20±0.10(Predicted)
• CAS DataBase Reference: 4-BORONO-DL-PHENYLALANINE B10 ENRICHED(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BORONO-DL-PHENYLALANINE B10 ENRICHED(90580-64-6)
• EPA Substance Registry System: 4-BORONO-DL-PHENYLALANINE B10 ENRICHED(90580-64-6)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 37/39-26-36
• WGK Germany: 3
• RTECS: AY4240000
• F: 1
• HazardClass: IRRITANT
• Hazardous Substances Data: 90580-64-6(Hazardous Substances Data)

Usage

Chemical Properties

off-white powder

InChI:InChI=1/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1

Upstream product

• 147529-10-0 N-acetyl-4-dihydroxyboranyl-phenylalanine 

Downstream Products

• 476461-61-7 3-[4-(thien-3-yl)phenyl]alanine 
• 476461-63-9 2-amino-3-(2'-fluoro-biphenyl-4-yl)-propionic acid 
• 111771-55-2 C₁₁H₁₆BNO₄ 
• 156617-06-0 2-benzyloxycarbonylamino-3-(4-boronophenyl)propionic acid 
• 1013933-17-9 C₁₅H₂₂BNO₆ 
• 3229-61-6 t-butyl(phenyl)nitroxide 
• 3229-43-4 4-(N-t-butyl-N-oxylamino)methoxybenzene 
• 3229-49-0 C₁₂H₁₆NO₂ 

Relevant articles and documents

Compositions, methods of preparing amino acids, and nuclear magnetic resonance spectroscopy

The present invention relates to amino acids, complexes, and compounds comprising deuterium and tritium isotopes preferably alpha deuterated amino acids, polypeptides, antibodies, derivatives and saccharide-amino acid complexes and conjugates. In some embodiments, the invention relates to methods of using compounds comprising deuterium for imaging biochemical concentrations and distributions in mammalian tissues using nuclear magnetic resonance spectroscopy. In some embodiments, the invention relates to the used of said amino acids derivatives and complexes in boron neutron capture therapy. In some embodiments, the present invention relates to the preparation of amino acids, polypeptides, antibodies, derivatives and saccharide complexes/conjugates comprising heavy hydrogen isotopes. In some embodiments, the invention relates to racemizing amino acids starting from compositions of any optical purity. In further embodiments, the invention relates to the preparation of amino acids and their N-acyl counterparts with deuterium incorporated at the alpha carbon.