872993-25-4

Basic information

• Product Name: [(N,N-bis((6-phenyl-2-pyridyl)methyl)-N-((2-pyridyl)methyl)amine)Ni(H₂O)(benzoato)2]
• Synonyms: [(N,N-bis((6-phenyl-2-pyridyl)methyl)-N-((2-pyridyl)methyl)amine)Ni(H₂O)(benzoato)2]
• CAS NO: 872993-25-4
• Molecular Weight: 761.5
• Mol File: 872993-25-4.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: [(N,N-bis((6-phenyl-2-pyridyl)methyl)-N-((2-pyridyl)methyl)amine)Ni(H₂O)(benzoato)2](CAS DataBase Reference)
• NIST Chemistry Reference: [(N,N-bis((6-phenyl-2-pyridyl)methyl)-N-((2-pyridyl)methyl)amine)Ni(H₂O)(benzoato)2](872993-25-4)
• EPA Substance Registry System: [(N,N-bis((6-phenyl-2-pyridyl)methyl)-N-((2-pyridyl)methyl)amine)Ni(H₂O)(benzoato)2](872993-25-4)

Safety Data

• Hazardous Substances Data: 872993-25-4(Hazardous Substances Data)

Upstream product

• 167897-42-9 N,N-bis((6-phenyl-2-pyridyl)methyl)-N-((2-pyridyl)-methyl)amine 
• 80937-33-3 oxygen 
• 532-32-1 sodium benzoate 

Downstream Products

• 932703-94-1 [(N,N-bis((6-phenyl-2-pyridyl)methyl)-N-((2-pyridyl)methyl)amine)Ni(H₂O)(benzoato)]ClO₄ 
• 932703-85-0 [(6-Ph₂TPA)Ni(O₂CPh)]ClO₄ 

Relevant articles and documents

Hexanickel enediolate cluster generated in an acireductone dioxygenase model reaction

A nickel(II) enediolate cluster (2) forms upon treatment of [(6-Ph 2TPA)Ni(PhC(O)C(OH)C(O)Ph)]ClO4 (1) with Me4NOH 5H2O in CH3CN. Crystallographic studies of 2 revealed a hexanuclear structure of S6 symmetry with a formula of {[Ni(PhC(O)C(O)C(O)Ph)(CH3OH)] 1.33CH3OH}6. Because isolation of bulk amounts of 2 from the reaction involving 1 proved impossible, a solvation analogue of 2 (labeled 5) was generated from admixture of Ni(ClO4)2 6H2O, 2-hydroxy-1,3- diphenylpropane-1,3-dione, and Me4NOH 5H2O in CH 3OH/CH3CN. Complex 5 is formulated as {[Ni(PhC(O)C(O)C(O) Ph)(H2O)] H2O 0.25CH3CN}6 based on elemental analysis, a molecular weight determination, UV-vis, and a magnetic moment measurement. Treatment of 5 with O2 and 6-Ph2TPA (6 equiv) results in the formation of CO and [(6-Ph2TPA)Ni(O 2CPh)2(H2O)] (3), the latter of which was isolated in 69% yield. The level of 18O incorporation in this reaction matches that for a reaction wherein 2 is generated from 1. These results provide evidence that a nickel(II) enediolate cluster is the O 2 reactive species in a previously reported model reaction for nickel(II)-containing acireductone dioxygenase.