25,26,27,28-tetrakis{[4-(hydroxycarbonyl)phenyl]methoxy}-2,8,14,20-tetrathiacalix-[4]arene | 781643-82-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 25,26,27,28-tetrakis{[4-(hydroxycarbonyl)phenyl]methoxy}-2,8,14,20-tetrathiacalix-[4]arene
• CAS: 781643-82-1
• 化学式: C₅₆H₄₀O₁₂S₄
• 分子量: 1033.19
• InChiKey: BJHFVNOKNZXTFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.71
• 重原子数：
  72.0
• 可旋转键数：
  16.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  186.12
• 氢给体数：
  4.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  Nε-Boc-Nα-Boc-L-lysine-N-(2-aminoethyl)amide 、 25,26,27,28-tetrakis{[4-(hydroxycarbonyl)phenyl]methoxy}-2,8,14,20-tetrathiacalix-[4]arene 在 N,N'-羰基二咪唑 作用下， 以 二氯甲烷 为溶剂， 反应 19.0h， 以57%的产率得到25,26,27,28-tetrakis{[4-(N-(2-(N-(1-(N-tert-butoxycarbonyl)amino-5-(N-tert-butoxy-carbonyl)aminopent-1-yl)carbonyl)aminoethyl)aminocarbonyl)phenyl]methoxy}-2,8,14,20-tetrathiacalix[4]arene
  参考文献：
  名称：

  Novel dendritic cores based on thiacalix[4]arene derivatives

  摘要：

  Thiacalix[4]arenes possessing carboxylic groups were used for the design of potential dendritic cores with amino surface groups. The known tetraacetic acid in the 1,3-alternate conformation gave the desired product in very low yield because of steric hindrance on thiacalix[4]arene moiety. Therefore, synthetic strategy based on withdrawing of the carboxyl groups via benzylic spacer from the thiacalix[4]arene moiety was successfully applied for the realization of novel thiacalix[4]arenes bearing two or four protected lysine units. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.07.085
• 作为产物：
  描述：

  25,26,27,28-tetrakis{[4-(methoxycarbonyl)phenyl]methoxy}-2,8,14,20-tetrathiacalix-[4]arene 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 120.0h， 以94%的产率得到25,26,27,28-tetrakis{[4-(hydroxycarbonyl)phenyl]methoxy}-2,8,14,20-tetrathiacalix-[4]arene
  参考文献：
  名称：

  Novel dendritic cores based on thiacalix[4]arene derivatives

  摘要：

  Thiacalix[4]arenes possessing carboxylic groups were used for the design of potential dendritic cores with amino surface groups. The known tetraacetic acid in the 1,3-alternate conformation gave the desired product in very low yield because of steric hindrance on thiacalix[4]arene moiety. Therefore, synthetic strategy based on withdrawing of the carboxyl groups via benzylic spacer from the thiacalix[4]arene moiety was successfully applied for the realization of novel thiacalix[4]arenes bearing two or four protected lysine units. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.07.085