4964-44-7

Basic information

• Product Name: 2-methylcinnolin-2-ium-4-olate
• CAS NO: 4964-44-7
• Molecular Weight: 160.175
• Mol File: 4964-44-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-methylcinnolin-2-ium-4-olate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-methylcinnolin-2-ium-4-olate(4964-44-7)
• EPA Substance Registry System: 2-methylcinnolin-2-ium-4-olate(4964-44-7)

Safety Data

• Hazardous Substances Data: 4964-44-7(Hazardous Substances Data)

Upstream product

• 186581-53-3 diazomethane 
• 18514-84-6 4(1H)-cinnolon 
• 77-78-1 dimethyl sulfate 
• 74-88-4 methyl iodide 

Relevant articles and documents

On the tautomerism of cinnolin-4-ol, cinnoline-4-thiol, and cinnolin-4-amine

Detailed NMR spectroscopic investigations (1H, 13C, 15N) with cinnolin-4-ol (1) reveal this compound to exist exclusively in the cinnolin-4(1H)-one form in deuteriodimethyl sulfoxide solution. This finding is confirmed by comparison of the NMR spectroscopic data of 1 with those of the corresponding 'fixed' O-methyl and N-methyl derivatives, i.e. 4-methoxycinnoline (3) and 1-methylcinnolin-4(1H)-one (5). Similarly, cinnoline-4-thiol (4) is present in the thione form in deuteriodimethyl sulfoxide, whereas cinnolin-4-amine (7) exists in the amino form. In addition, in-depth analyses of the NMR spectra of some simple 4-substituted cinnolines are provided.