1375466-88-8

Basic information

• Product Name: 2,13-bis(2-phenacyl)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.(1.18)0(7.12)]docosane
• Synonyms: 2,13-bis(2-phenacyl)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.(1.18)0(7.12)]docosane
• CAS NO: 1375466-88-8
• Molecular Weight: 572.834
• Mol File: 1375466-88-8.mol

Chemical Properties

• CAS DataBase Reference: 2,13-bis(2-phenacyl)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.(1.18)0(7.12)]docosane(CAS DataBase Reference)
• NIST Chemistry Reference: 2,13-bis(2-phenacyl)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.(1.18)0(7.12)]docosane(1375466-88-8)
• EPA Substance Registry System: 2,13-bis(2-phenacyl)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.(1.18)0(7.12)]docosane(1375466-88-8)

Safety Data

• Hazardous Substances Data: 1375466-88-8(Hazardous Substances Data)

Upstream product

• 70-11-1 α-bromoacetophenone 
• 138307-72-9 3,14-dimethyl-2,6,13,17-tetraazatricyclo<16.4.0^1,4.0^7,12>docosane 

Relevant articles and documents

Synthesis, crystal structures, and deprotonation of cis- and trans-octahedral nickel(II) complexes with a 14-membered tetraaza macrocycle bearing two N-phenacyl pendant arms

The di-N-functionalized macrocycle 2,13-bis(2-phenacyl)-5,16-dimethyl-2,6, 13,17-tetraazatricyclo[16.4.0.1.1807.12]docosane (H 2L2) bearing two N-CH2COC6H 5 groups has been prepared by the reaction of 3,14-dimethyl-2,6,13, 17-tetraazatricyclo[16.4.0.07.12]docosane (L1) with phenacyl bromide. Interestingly, H2L2 reacts with Ni 2+ ion to form two geometric isomers, trans-[Ni(H2L 2)]2+ and cis-[Ni(H2L2)] 2+. The axial Ni-O (N-CH2COC6H5 group) bond distance (2.080(2) ) of trans-[Ni(H2L2)] (ClO4)2·2DMSO is shorter than the in-plane Ni-N distances (2.096(2) and 2.100(2) ). However, the Ni-O distances (2.105(2) and 2.124(2) ) of cis-[Ni(H2L2)](ClO4) 2·H2O are considerably longer than the Ni-N distances (2.053(2)-2.086(2) ). Each N-CH2COC6H 5 group of trans-[Ni(H2L2)]2+ and cis-[Ni(H2L2)]2+ exists as its keto form in the solid state and in various solvents. Two N-CH2COC6H 5 groups of trans-[Ni(H2L2)]2+ are readily deprotonated in basic aqueous solutions, producing the enolate form trans-[Ni(L2)]. On the other hand, cis-[Ni(H2L 2)]2+ undergoes deprotonation to yield cis-[Ni(HL 2)]+, in which one N-CH2COC6H 5 group is not deprotonated, under similar conditions.