18766-56-8

Basic information

• Product Name: (2R)-1-{(E)-2-[(2S)-2-carboxy-6-(dihydroxymethylidene)-1,2,3,6-tetrahydropyridin-4-yl]ethenyl}-5,6-dioxo-2,3,5,6-tetrahydro-1H-indole-2-carboxylic acid
• CAS NO: 18766-56-8
• Molecular Formula: C₁₈H₁₆N₂O₈
• Molecular Weight: 388.3282
• Mol File: 18766-56-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 693.2°C at 760 mmHg
• Flash Point: 373.1°C
• Density: 1.71g/cm³
• Vapor Pressure: 3.12E-22mmHg at 25°C
• Refractive Index: 1.743
• CAS DataBase Reference: (2R)-1-{(E)-2-[(2S)-2-carboxy-6-(dihydroxymethylidene)-1,2,3,6-tetrahydropyridin-4-yl]ethenyl}-5,6-dioxo-2,3,5,6-tetrahydro-1H-indole-2-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (2R)-1-{(E)-2-[(2S)-2-carboxy-6-(dihydroxymethylidene)-1,2,3,6-tetrahydropyridin-4-yl]ethenyl}-5,6-dioxo-2,3,5,6-tetrahydro-1H-indole-2-carboxylic acid(18766-56-8)
• EPA Substance Registry System: (2R)-1-{(E)-2-[(2S)-2-carboxy-6-(dihydroxymethylidene)-1,2,3,6-tetrahydropyridin-4-yl]ethenyl}-5,6-dioxo-2,3,5,6-tetrahydro-1H-indole-2-carboxylic acid(18766-56-8)

Safety Data

• Hazardous Substances Data: 18766-56-8(Hazardous Substances Data)

Upstream product

• 7659-95-2 betanin 

Relevant articles and documents

Chlorination of Betacyanins in Several Hypochlorous Acid Systems

This study presents a comparative evaluation of chlorination of betanin, betanidin, and neobetanin exposed to sodium hypochlorite and myeloperoxidase (MPO)/H2O2/Cl- systems. For betanin/betanidin, the chlorination takes place at the aglycone unit, but for neobetanin, no chlorinated products in the reaction mixtures can be detected. In the RP-HPLC system, monochloro-betanin/-betanidin were eluted earlier than their corresponding nonchlorinated substrates. An influence of Cl- concentration on betanin/betanidin chlorination efficiency in sodium hypochlorite and MPO systems was investigated. At pH 3-5, the yields of formed monochloro-betanin/-betanidin decrease dramatically at higher Cl- concentrations, indicating that generated Cl2 is not the chlorinating agent in the presence of sodium hypochlorite. The intriguing low activity of Cl2 in betanin/betanidin chlorination compared to HOCl and/or Cl2O can be explained by a special position of the attack by molecules of HOCl and/or Cl2O. In the MPO/H2O2/Cl- system, the highest efficiency of monochloro-betanin/-betanidin generation is observed at pH 5.