212317-85-6

Basic information

• Product Name: 2,2,6,6-tetrakis[2-(5-tetrazolyl)ethyl]cyclohexanone
• Synonyms: 2,2,6,6-tetrakis[2-(5-tetrazolyl)ethyl]cyclohexanone
• CAS NO: 212317-85-6
• Molecular Weight: 482.511
• Mol File: 212317-85-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2,2,6,6-tetrakis[2-(5-tetrazolyl)ethyl]cyclohexanone(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2,6,6-tetrakis[2-(5-tetrazolyl)ethyl]cyclohexanone(212317-85-6)
• EPA Substance Registry System: 2,2,6,6-tetrakis[2-(5-tetrazolyl)ethyl]cyclohexanone(212317-85-6)

Safety Data

• Hazardous Substances Data: 212317-85-6(Hazardous Substances Data)

Upstream product

• 5883-05-6 2,2,6,6-tetrakis(2-cyanoethyl)cyclohexanone 

Downstream Products

• 1167427-24-8 2,2,6,6-tetrakis[2-(5-trifluoromethyl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanone 

Relevant articles and documents

Branched polycyclic tetrazole systems. 1. Synthesis and structure of 2-(5-tetrazolyl)ethyl derivatives of some CH-, OH-, and NH-acids

The cycloaddition of dimethylammonium azide to the nitrile groups of 2-cyanoethyl derivatives of CH-, OH-, and NH-acids leads to open-chain branched structures containing terminal NH-tetrazolyl groups. An x-ray diffraction structural analysis of tris[2-(5-tetrazolyl)ethyl]nitromethane revealed steric access of the equivalent NH-tetrazolyl rings of the branched system. In going from the branched nitrile substrates to the corresponding tetrazoles, the PMR spectra show a breakdown in the resolution of the multiplet components, which had not been observed previously for monocyclic 5-substituted tetrazoles. A dependence was found for the 13C NMR chemical shifts on the pKa values, reflecting the NH-addity of the branched polycyclic tetrazoles in water.