hexakis(N-pyridin-4-one-methyl)benzene | 524745-63-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: hexakis(N-pyridin-4-one-methyl)benzene
• 英文别名: HPMB；1-[[2,3,4,5,6-Pentakis[(4-oxopyridin-1-yl)methyl]phenyl]methyl]pyridin-4-one；1-[[2,3,4,5,6-pentakis[(4-oxopyridin-1-yl)methyl]phenyl]methyl]pyridin-4-one
• CAS: 524745-63-9
• 化学式: C₄₂H₃₆N₆O₆
• 分子量: 720.784
• InChiKey: VXAQWABWOKBHFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  54
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  122
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 hexakis(N-pyridin-4-one-methyl)benzene 以 水 为溶剂， 生成 [Cu2(HPMB)Cl2(H2O)4]Br2*10H2O
  参考文献：
  名称：

  Network coordination polymers formed by the ‘star’-shaped ligand hexakis(N-pyridin-4-one-methyl)benzene (HPMB)

  摘要：

  The structures are reported of three coordination polymers formed by the hexadentate O-donor ligand hexakis(N-pyridin-4-one-methyl)benzene (HPMB). The structure of [Cu-2(HPMB)(H2O)(6)](H-2.HPMB)(ClO4)(6).8H(2)O comprises chains of 32-membered rings cross-linked by hydrogen bonds to tapes of protonated HPMB ligands. Crystals of [Cu-2(HPMB)Cl-2(H2O)(4)]Br-2.10H(2)O form chains of larger, 62-membered, rings with neighbouring chains cross-linked by hydrogen bonds to form sheets. In [Co(HPMB)](BF4)(2).8MeOH.3.5H(2)O all six oxygen atoms of each HPMB ligand coordinate to a cobalt atom resulting in the formation of a contiguous 3-D network emulating the sodium chloride lattice, and containing substantial cavities and channels. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01335-x