4,13-bis(1-aminoethyl)-1,10-dimethyl-7,8,15,16-tetraoxadispiro[5.2.5.2]hexadecane | 1258278-16-8

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氧化物
• 英文名称: 4,13-bis(1-aminoethyl)-1,10-dimethyl-7,8,15,16-tetraoxadispiro[5.2.5.2]hexadecane
• 英文别名: 1-[(2R,5R,11R,14R)-11-(1-aminoethyl)-5,14-dimethyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-2-yl]ethanamine
• CAS: 1258278-16-8
• 化学式: C₁₈H₃₄N₂O₄
• 分子量: 342.479
• InChiKey: BUROIDFHGMDKOU-JIUQZRQKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  89
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4,13-diacetyl-1,10-dimethyl-7,8,15,16-tetraoxadispiro[5.2.5.2]hexadecane 在 ammonium acetate 、 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 反应 48.0h， 以8%的产率得到4,13-bis(1-aminoethyl)-1,10-dimethyl-7,8,15,16-tetraoxadispiro[5.2.5.2]hexadecane
  参考文献：
  名称：

  The structure and antimalarial activity of dispiro-1,2,4,5-tetraoxanes derived from (+)-dihydrocarvone

  摘要：

  An unsaturated dispiro 1,2,4,5-tetraoxane formed by peroxidation of (+)-dihydrocarvone was converted into four structurally diverse derivatives. X-ray crystallographic analysis shows that the structures possess central tetraoxane rings with spiro-2,5-disubstituted cyclohexylidene substituents and 6-membered rings in classical chair conformations. As polarity in the tetraoxane series increased, in vitro potency against Plasmodium falciparum decreased. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.113

文献信息

• The structure and antimalarial activity of dispiro-1,2,4,5-tetraoxanes derived from (+)-dihydrocarvone
  作者：Yuxiang Dong、Kevin J. McCullough、Sergio Wittlin、Jacques Chollet、Jonathan L. Vennerstrom

  DOI：10.1016/j.bmcl.2010.09.113

  日期：2010.11

  An unsaturated dispiro 1,2,4,5-tetraoxane formed by peroxidation of (+)-dihydrocarvone was converted into four structurally diverse derivatives. X-ray crystallographic analysis shows that the structures possess central tetraoxane rings with spiro-2,5-disubstituted cyclohexylidene substituents and 6-membered rings in classical chair conformations. As polarity in the tetraoxane series increased, in vitro potency against Plasmodium falciparum decreased. (C) 2010 Elsevier Ltd. All rights reserved.