5,5-Bis-(aminomethyl)-2,2-bis-(methyl)-1,3-dioxane | 104275-10-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5,5-Bis-(aminomethyl)-2,2-bis-(methyl)-1,3-dioxane
• 英文别名: [5-(aminomethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanamine
• CAS: 104275-10-7
• 化学式: C₈H₁₈N₂O₂
• 分子量: 174.243
• InChiKey: JHLRQPKEOLTCOG-UHFFFAOYSA-N

物化性质

• 沸点：
  254.2±15.0 °C(Predicted)
• 密度：
  0.996±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  70.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5,5-双(溴甲基)-2,2-二甲基-1,3-二氧六环 在 Lindlar's catalyst sodium azide 、 氢气 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 5,5-Bis-(aminomethyl)-2,2-bis-(methyl)-1,3-dioxane
  参考文献：
  名称：

  A new family of water-soluble, third-generation antitumor platinum complexes

  摘要：

  [1,1-Cyclobutanedicarboxylato(2)-O,O'](1,3-dioxane-5,5-dimethan amine- N,N')platinum(II), 3a, a third generation, very water-soluble platinum complex, has been synthesized along with several of its analogues. All members of the new family contain a 1,3-dioxane or 1,3-dioxolane-1,3-diamine as their basic ligand, a moiety which contributes to their increased water solubility, and a bidentate acid ligand, which is responsible for their good stability. They were all easily crystallized and characterized by 1H NMR and elemental analysis, and the parent complex 3a was further characterized by 13C NMR. Their very desirable physical properties combined with their broad spectrum of antitumor activity and reduced toxicity make them good candidates of further development.

  DOI：

  10.1021/jm00129a008

文献信息

• KOLAR, C.;KRAEMER, H. P.;DEHMEL, K.
  作者：KOLAR, C.、KRAEMER, H. P.、DEHMEL, K.

  DOI：——

  日期：——
• Cis-Platin-Komplexe mit einem Pentaerythritderivat als Liganden, Verfahren zu ihrer Herstellung und diese Verbindungen enthaltendes pharmazeutisches Mittel
  申请人：BEHRINGWERKE Aktiengesellschaft

  公开号：EP0174542B1

  公开（公告）日：1989-06-28
• US4730069A
  申请人：——

  公开号：US4730069A

  公开（公告）日：1988-03-08
• A new family of water-soluble, third-generation antitumor platinum complexes
  作者：Panayota Bitha、Suzanne G. Carvajal、Ronald V. Citarella、Eugenia F. Delos Santos、Fredrick E. Durr、Joseph J. Hlavka、S. A. Lang、Harry L. Lindsay、John P. Thomas

  DOI：10.1021/jm00129a008

  日期：1989.9

  [1,1-Cyclobutanedicarboxylato(2)-O,O'](1,3-dioxane-5,5-dimethan amine- N,N')platinum(II), 3a, a third generation, very water-soluble platinum complex, has been synthesized along with several of its analogues. All members of the new family contain a 1,3-dioxane or 1,3-dioxolane-1,3-diamine as their basic ligand, a moiety which contributes to their increased water solubility, and a bidentate acid ligand, which is responsible for their good stability. They were all easily crystallized and characterized by 1H NMR and elemental analysis, and the parent complex 3a was further characterized by 13C NMR. Their very desirable physical properties combined with their broad spectrum of antitumor activity and reduced toxicity make them good candidates of further development.