1430418-78-2

Basic information

• Product Name: [copper(II)(N-p-methylbenzyl-iminodiacetate)(7-deaza-adenine)]
• CAS NO: 1430418-78-2
• Molecular Weight: 432.926
• Mol File: 1430418-78-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [copper(II)(N-p-methylbenzyl-iminodiacetate)(7-deaza-adenine)](CAS DataBase Reference)
• NIST Chemistry Reference: [copper(II)(N-p-methylbenzyl-iminodiacetate)(7-deaza-adenine)](1430418-78-2)
• EPA Substance Registry System: [copper(II)(N-p-methylbenzyl-iminodiacetate)(7-deaza-adenine)](1430418-78-2)

Safety Data

• Hazardous Substances Data: 1430418-78-2(Hazardous Substances Data)

Upstream product

• 166826-77-3 (carboxymethyl(4-methylbenzyl)amino)acetic acid 
• 1500-85-2 7-deazaadenine 

Relevant articles and documents

From 7-azaindole to adenine: Molecular recognition aspects on mixed-ligand Cu(ii) complexes with deaza-adenine ligands

For a better understanding of the versatile behaviour of adenine as a ligand, a series of 10 ternary copper(ii) complexes with deaza-adenine ligands [7-azaindole (1,6,7-trideaza-adenine, H7azain), 4-azabenzimidazole (1,6-dideaza-adenine, H4abim), 5-azabenzimidazole (3,6-dideaza-adenine, H5abim), and 7-deaza-adenine (H7deaA)] have been synthesised and characterised by X-ray diffraction. Likewise, all the compounds studied have been analysed by spectral and thermal methods. The proton tautomers and donor capabilities of the above-mentioned deaza-adenine ligands have been calculated by DFT. We conclude that the increasing presence of N-donors in deaza-adenine ligands favours the proton tautomerism and their versatility as co-ligands. Notably, H7azain consistently uses the same tautomer, H4abim uses two different tautomers but is not protonated by the pentadentate H2EDTA2- ligand, and H(N1)5abim displays the μ2-N7,N9 mode, whereas H(N9)7deaA binds Cu(ii) by N3 in cooperation with an intra-molecular N9-H...O interaction or using the unprecedented bidentate μ2-N1,N3 bridging mode.