28256-99-7

Basic information

• Product Name: 2-(3-nitrophenyl)-1,3,2-benzodiazaborininone
• Synonyms: 2-(3-nitrophenyl)-1,3,2-benzodiazaborininone
• CAS NO: 28256-99-7
• Molecular Weight: 267.052
• Mol File: 28256-99-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-(3-nitrophenyl)-1,3,2-benzodiazaborininone(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(3-nitrophenyl)-1,3,2-benzodiazaborininone(28256-99-7)
• EPA Substance Registry System: 2-(3-nitrophenyl)-1,3,2-benzodiazaborininone(28256-99-7)

Safety Data

• Hazardous Substances Data: 28256-99-7(Hazardous Substances Data)

Upstream product

• 28144-70-9 anthranilic acid amide 
• 13331-27-6 m-nitrobenzene boronic acid 

Relevant articles and documents

Azaborininones: Synthesis and Structural Analysis of a Carbonyl-Containing Class of Azaborines

An approach to access azaborininones (carbonyl-containing, boron-based heterocyclic scaffolds) using simple reagents and conditions from both organotrifluoroborates and boronic acids is described. An inexpensive, common reagent, SiO2, was found to serve as both a fluorophile and desiccant to facilitate the annulation process across three different azaborininone platforms. Computational analysis of some of the cores synthesized in this study was undertaken to compare the azaborininones with the analogous carbon-based heterocyclic systems. Computationally derived pKa values, NICS aromaticity calculations, and electrostatic potential surfaces revealed a unique isoelectronic/isostructural relationship between these azaborines and their carbon isosteres that changed based on boron connectivity. Correlation to experimentally derived data supports the computational findings.