2,13-dimethyl-1,5,12,16-tetraazapentacyclo[14.6.2.2**(5.12).0**(6.11).0**(17.22)]hexacosane | 1204421-90-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2,13-dimethyl-1,5,12,16-tetraazapentacyclo[14.6.2.2**(5.12).0**(6.11).0**(17.22)]hexacosane
• 英文别名: 2,13-Dimethyl-1,5,12,16-tetrazapentacyclo[14.6.2.25,12.06,11.017,22]hexacosane；2,13-dimethyl-1,5,12,16-tetrazapentacyclo[14.6.2.25,12.06,11.017,22]hexacosane
• CAS: 1204421-90-8
• 化学式: C₂₄H₄₄N₄
• 分子量: 388.64
• InChiKey: LHCDEXUMDSYTSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  高氯酸 、 2,13-dimethyl-1,5,12,16-tetraazapentacyclo[14.6.2.2**(5.12).0**(6.11).0**(17.22)]hexacosane 、 copper(II) acetate monohydrate 在 HC(OEt)3 作用下， 以 乙醇 为溶剂， 以80%的产率得到(copper(II))(2,13-dimethyl-1,5,12,16-tetraazapentacyclo[14.6.2.2**(5.12).0**(6.11).0**(17.22)]hexacosane)(ClO4)2
  参考文献：
  名称：

  Synthesis and characterization of a topologically constrained tetraaza macropolycycle and its copper(II) complex

  摘要：

  A new macropolycycle, 2,13-dimethyl-1,5,12,16-tetraazapentacyclo[14.6.2.2(5.12).0(6.11).0(17.22)]hexacosane (L(3)), has been prepared by the reaction of 3,14-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7.12)]docosane (L(1)) with 1-bromo-2-chloroethane. The macropolycycle readily reacts with anhydrous copper(II) ion to yield [CuL(3)](2+) in dry methanol but does not with nickel(II) ion, showing a high copper(II) ion selectivity. Crystal structure of [CuL(3)](ClO(4))(2) shows that the complex has a distorted square-planar coordination polyhedron with a trans-IV type N-conformation. The Cu-N distances [1.989(3) and 2.015(3) angstrom] of [CuL(3)](ClO(4))(2) are distinctly shorter than those of [CuL(1)](ClO(4))(2) and other related macrocyclic copper(II) complexes. The d-d transition band for [CuL(3)](ClO(4))(2) is observed at 447 nm, which is ca. 40 nm shorter than that for [CuL(1)](ClO(4))(2). (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.09.040

文献信息

• Synthesis and characterization of a topologically constrained tetraaza macropolycycle and its copper(II) complex
  作者：Shin-Geol Kang、Jae Keun Kweon、Gyeong Rok Jeong、Jong Hwa Jeong

  DOI：10.1016/j.ica.2009.09.040

  日期：2009.12

  A new macropolycycle, 2,13-dimethyl-1,5,12,16-tetraazapentacyclo[14.6.2.2(5.12).0(6.11).0(17.22)]hexacosane (L(3)), has been prepared by the reaction of 3,14-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7.12)]docosane (L(1)) with 1-bromo-2-chloroethane. The macropolycycle readily reacts with anhydrous copper(II) ion to yield [CuL(3)](2+) in dry methanol but does not with nickel(II) ion, showing a high copper(II) ion selectivity. Crystal structure of [CuL(3)](ClO(4))(2) shows that the complex has a distorted square-planar coordination polyhedron with a trans-IV type N-conformation. The Cu-N distances [1.989(3) and 2.015(3) angstrom] of [CuL(3)](ClO(4))(2) are distinctly shorter than those of [CuL(1)](ClO(4))(2) and other related macrocyclic copper(II) complexes. The d-d transition band for [CuL(3)](ClO(4))(2) is observed at 447 nm, which is ca. 40 nm shorter than that for [CuL(1)](ClO(4))(2). (C) 2009 Elsevier B. V. All rights reserved.