1432283-14-1

Basic information

• Product Name: C₁₃H₁₂N₆O
• Synonyms: C₁₃H₁₂N₆O
• CAS NO: 1432283-14-1
• Molecular Weight: 268.278
• Mol File: 1432283-14-1.mol

Chemical Properties

• CAS DataBase Reference: C₁₃H₁₂N₆O(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₃H₁₂N₆O(1432283-14-1)
• EPA Substance Registry System: C₁₃H₁₂N₆O(1432283-14-1)

Safety Data

• Hazardous Substances Data: 1432283-14-1(Hazardous Substances Data)

Upstream product

• 1193-62-0 methyl Pyrrole-2-carboxylate 
• 937-19-9 5-cyano-1H-pyrrole-2-carboxylic acid methyl ester 
• 854044-30-7 5-carboxy-1H-pyrrole-2-carbonitrile 
• 1432283-27-6 5-cyano-N-(p-tolyl)-1H-pyrrole-2-carboxamide 

Relevant articles and documents

Dissecting the complex recognition interfaces of potent tetrazole- and pyrrole-based anion binders

Tetrazoles are potent anion binders. We report here a new family of tetrazole-pyrrole-amide hosts that arise when a tetrazole is incorporated as a new binding element alongside the well-known amidopyrrole anion-binding scaffold. In addition to reporting three new, modular synthetic routes that can be used to access these structures, we also report that the new hosts are highly potent binders of chloride. Along the way, we carried out studies of a pyrrole ester control compound that, surprisingly, bound anions almost as strongly as did the amide analogues. This led us to investigate further the relative importance of the amide NH in halide binding. We report that, despite the regular appearance of this close amide NH - -Cl contact in calculated and experimental X-ray structures, the amide NH in this family of anion hosts does not hydrogen bond strongly to chloride in solution.