2,9,18,25-tetraoxo-4,7,20,23-tetrakis(carboxymethyl)-1,4,7,10,17,20,23,26-octaaza[10.10]metacyclophane | 211170-16-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2,9,18,25-tetraoxo-4,7,20,23-tetrakis(carboxymethyl)-1,4,7,10,17,20,23,26-octaaza[10.10]metacyclophane
• 英文别名: 2,9,8,15-tetraoxo-4,7,12,23-tetrakis(carboxymethyl)-1,4,7,10,17,20,23,26-octaaza[10.10]paracyclophane；2-[8,19,22-Tris(carboxymethyl)-3,10,17,24-tetraoxo-2,5,8,11,16,19,22,25-octazatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaen-5-yl]acetic acid
• CAS: 211170-16-0
• 化学式: C₃₂H₄₀N₈O₁₂
• 分子量: 728.716
• InChiKey: LRGHQZCOYBUXRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.4
• 重原子数：
  52
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  279
• 氢给体数：
  8
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 2,9,18,25-tetraoxo-4,7,20,23-tetrakis(carboxymethyl)-1,4,7,10,17,20,23,26-octaaza[10.10]metacyclophane 在 sodium carbonate 作用下， 以 水 为溶剂， 以99%的产率得到
  参考文献：
  名称：

  Inoue, Michiko B.; Velazquez, Enrique F.; Medrano, Felipe, Inorganic Chemistry, 1998, vol. 37, # 16, p. 4070 - 4075

  摘要：

  DOI：

文献信息

• Structural and spectroscopic studies of a metacyclophane and its binuclear Cu2+ complex
  作者：Michiko B. Inoue、Lorena Machi、Motomichi Inoue、Quintus Fernando

  DOI：10.1016/s0020-1693(01)00349-8

  日期：2001.5

  In a new chelating metacyclophane, 2,9,18,25-tetraoxo-4,7,20,23-tetrakis(carboxymethyl)-1,4,7,10,17,20,23,26-octaaza[10.10]metacyclophane, the amino nitrogen atoms have a higher basicity than that of the corresponding paracyclophane, although the local electron densities on the donor atoms are identical in the two isomers. The molecular structure of a binuclear Cu2+ complex with the metacyclophane has been studied by X-ray crystal analysis: the coordination geometry around each metal ion is described by a compressed trigonal bipyramid. The solution electronic spectra of the Cu2+ complex change with pH as a result of the conversion of the coordination sites of the amide groups. (C) 2001 Elsevier Science B.V. All rights reserved.
• Inoue, Michiko B.; Velazquez, Enrique F.; Medrano, Felipe, Inorganic Chemistry, 1998, vol. 37, # 16, p. 4070 - 4075
  作者：Inoue, Michiko B.、Velazquez, Enrique F.、Medrano, Felipe、Ochoa, Karen L.、Galvez、Inoue, Motomichi、Fernando, Quintus

  DOI：——

  日期：——