[18-(hydroxymethyl)-6,17-dithia-1,12-diazahexacyclo[10.10.1.02,10.05,9.013,21.016,20]tricosa-2(10),3,5(9),7,13(21),14,16(20),18-octaen-7-yl]methanol | 835655-71-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: [18-(hydroxymethyl)-6,17-dithia-1,12-diazahexacyclo[10.10.1.02,10.05,9.013,21.016,20]tricosa-2(10),3,5(9),7,13(21),14,16(20),18-octaen-7-yl]methanol
• CAS: 835655-71-5
• 化学式: C₂₁H₁₈N₂O₂S₂
• 分子量: 394.518
• InChiKey: RXKLYVIYRSPPAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  27.0
• 可旋转键数：
  2.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  46.94
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  氯甲酰乙酸乙酯 、 [18-(hydroxymethyl)-6,17-dithia-1,12-diazahexacyclo[10.10.1.02,10.05,9.013,21.016,20]tricosa-2(10),3,5(9),7,13(21),14,16(20),18-octaen-7-yl]methanol 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以20%的产率得到3-O-[[18-[(3-ethoxy-3-oxopropanoyl)oxymethyl]-6,17-dithia-1,12-diazahexacyclo[10.10.1.02,10.05,9.013,21.016,20]tricosa-2(10),3,5(9),7,13(21),14,16(20),18-octaen-7-yl]methyl] 1-O-ethyl propanedioate
  参考文献：
  名称：

  Regio/diastereo-controls of the Bingel-type biscyclopropanation of [60]fullerene by using bismalonates with a Tröger base analogue-derived tether

  摘要：

  Four kinds of bismalonates tethered with a Troger base derivative were synthesized and used for the double Bingel reaction of [60]fullerene. the regio/diastereoselectivities of the reaction were highly influenced by the structure of the Troger base derivatives. Heteroaromatic analogues of the Troger base were found to be applicable as the core the the tether. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.11.022
• 作为产物：
  描述：

  (5-nitrobenzo[b]thiophen-2-yl)methanol 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 水 为溶剂， 生成 [18-(hydroxymethyl)-6,17-dithia-1,12-diazahexacyclo[10.10.1.02,10.05,9.013,21.016,20]tricosa-2(10),3,5(9),7,13(21),14,16(20),18-octaen-7-yl]methanol
  参考文献：
  名称：

  Regio/diastereo-controls of the Bingel-type biscyclopropanation of [60]fullerene by using bismalonates with a Tröger base analogue-derived tether

  摘要：

  Four kinds of bismalonates tethered with a Troger base derivative were synthesized and used for the double Bingel reaction of [60]fullerene. the regio/diastereoselectivities of the reaction were highly influenced by the structure of the Troger base derivatives. Heteroaromatic analogues of the Troger base were found to be applicable as the core the the tether. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.11.022