3,13,23-tris[(4-nitrophenyl)methyl]-10,16-dioxa-3,13,23,29-tetrazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene | 402499-08-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3,13,23-tris[(4-nitrophenyl)methyl]-10,16-dioxa-3,13,23,29-tetrazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene
• CAS: 402499-08-5
• 化学式: C₄₄H₄₁N₇O₈
• 分子量: 795.852
• InChiKey: XMUSPTPEYSPZCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  59
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  179
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  cadmium(II) nitrate tetrhydrate 、 3,13,23-tris[(4-nitrophenyl)methyl]-10,16-dioxa-3,13,23,29-tetrazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene 以 乙腈 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  The synthesis of three novel pendant armed macrocyclic ligands. The X-ray crystal structure of a cadmium complex derived from the first oxaazamacrocycle bearing two alkylated aromatic amine functions

  摘要：

  Three new macrocyclic ligands derived from 2,6-pyridinedicarbaidehyde have been prepared by N-alkylation of a secondary aliphatic amine and two secondary phenylic amines of the oxaazamacrocycle precursor (L) with p-nitrobenzylbromide and bromoacetonitrile. The trialkylated ligand 2 is the first example of a macrocyclic ligand bearing pendant arms on secondary aromatic amine nitrogens. Complexation reactions of macrocycles 2 and 3 with different hydrated metal salts were carried out in order to investigate the complexation capability of these new pendant arm macrocyclic ligands. The X-ray crystal structures of ligands 1 and 3 and of the cadmium complex of 2 have been obtained. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(01)00909-3