2,8,14,20-tetramethyl-3,7,15,19,25,26-hexaaza-tricyclo[19.3.1.1(9,13)]hexacosa-1(24),9,11,13(26),21(25),22-hexaene | 960588-08-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,8,14,20-tetramethyl-3,7,15,19,25,26-hexaaza-tricyclo[19.3.1.1(9,13)]hexacosa-1(24),9,11,13(26),21(25),22-hexaene
• 英文别名: (2S,8S,14R,20R)-2,8,14,20-tetramethyl-3,7,15,19,25,26-hexazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene
• CAS: 960588-08-3
• 化学式: C₂₄H₃₈N₆
• 分子量: 410.606
• InChiKey: ZKXKMFBNGPADPR-FGYAAKKASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  30
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  73.9
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  zinc(II) perchlorate 、 2,8,14,20-tetramethyl-3,7,15,19,25,26-hexaaza-tricyclo[19.3.1.1(9,13)]hexacosa-1(24),9,11,13(26),21(25),22-hexaene 、 水 以 乙腈 为溶剂， 以62%的产率得到Zn(2,8,14,20-tetramethyl-3,7,15,19,25,26-hexaaza-tricyclo[19.3.1.1(9,13)]hexacosa-1(24),9,11,13(26),21(25),22-hexaene)(ClO4)2*H2O
  参考文献：
  名称：

  Zn(II) complexes with pyridine derived N6 and N8 donor azamacrocyclic ligands

  摘要：

  A novel N6 macrocyclic ligand, L-1 (2,8,14,20-tetramethyl-3,7,15,19,25,26-hexaaza-tricyclo[19.3.1.1(9,13)]hexacosa-1(24),9,11,13(26), 21(25),22-hexaene), was obtained by reduction of the 2 + 2 condensation product of 2,6-diacetylpyridine and propane-1,3-diamine. Zinc(II) complexes of L-1, of a related N8 macrocycle, L-3 (3,6,9,17,20,23,29,30-octaaza-tricyclo[23.3.1.1[11,15]]triaconta-1(28),1,13,15(30), 25(29),26-hexaene), similarly prepared by 2 + 2 condensation of 2,6-diformylpyridine and diethylenetriamine and of a tetra N-2-cyanoethyl derivative of a homologue of L-1 prepared from diformyl pyridine and ethane-1,2-diamine, L-2 (3-[6,14,17-tris-(2-cyano-ethyl)3,6,14,17,23,24-hexaaza-tricyclo[17.3.1. 11,12] tetracosa-1(23),8(24),9,11,19,21-hexaen-3-yl]-propionitrile), were prepared. Structures were determined for [ZnL1](ClO4)(2) center dot H2O, [ZnL2](NO3)(2) and [Zn2L3(NO3)(2)](NO3)(2) center dot H2O. The [ZnL1](ClO4)(2) center dot H2O and [ZnL2](NO3)(2) complexes present a mononuclear endomacrocyclic structure with the metal in an octahedral distorted environment coordinated by the six donor nitrogen atoms from the macrocyclic backbone while the complex [Zn2L3(NO3)(2)](NO3)(2) center dot H2O is dinuclear with both metal atoms into the macrocyclic cavity coordinated by four donor nitrogen atoms from the macrocyclic framework and one oxygen atom from one monodentate nitrate anion, in a distorted square pyramidal arrangement. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.07.035

文献信息

• Zn(II) complexes with pyridine derived N6 and N8 donor azamacrocyclic ligands
  作者：Ma del Carmen Fernández-Fernández、Rufina Bastida、Alejandro Macías、Paulo Pérez-Lourido、Laura Valencia

  DOI：10.1016/j.poly.2007.07.035

  日期：2007.11

  A novel N6 macrocyclic ligand, L-1 (2,8,14,20-tetramethyl-3,7,15,19,25,26-hexaaza-tricyclo[19.3.1.1(9,13)]hexacosa-1(24),9,11,13(26), 21(25),22-hexaene), was obtained by reduction of the 2 + 2 condensation product of 2,6-diacetylpyridine and propane-1,3-diamine. Zinc(II) complexes of L-1, of a related N8 macrocycle, L-3 (3,6,9,17,20,23,29,30-octaaza-tricyclo[23.3.1.1[11,15]]triaconta-1(28),1,13,15(30), 25(29),26-hexaene), similarly prepared by 2 + 2 condensation of 2,6-diformylpyridine and diethylenetriamine and of a tetra N-2-cyanoethyl derivative of a homologue of L-1 prepared from diformyl pyridine and ethane-1,2-diamine, L-2 (3-[6,14,17-tris-(2-cyano-ethyl)3,6,14,17,23,24-hexaaza-tricyclo[17.3.1. 11,12] tetracosa-1(23),8(24),9,11,19,21-hexaen-3-yl]-propionitrile), were prepared. Structures were determined for [ZnL1](ClO4)(2) center dot H2O, [ZnL2](NO3)(2) and [Zn2L3(NO3)(2)](NO3)(2) center dot H2O. The [ZnL1](ClO4)(2) center dot H2O and [ZnL2](NO3)(2) complexes present a mononuclear endomacrocyclic structure with the metal in an octahedral distorted environment coordinated by the six donor nitrogen atoms from the macrocyclic backbone while the complex [Zn2L3(NO3)(2)](NO3)(2) center dot H2O is dinuclear with both metal atoms into the macrocyclic cavity coordinated by four donor nitrogen atoms from the macrocyclic framework and one oxygen atom from one monodentate nitrate anion, in a distorted square pyramidal arrangement. (c) 2007 Elsevier Ltd. All rights reserved.