| 833453-16-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 833453-16-0
• 化学式: C₇₃H₁₃₁N₃O₃₅
• 分子量: 1610.84
• InChiKey: XCFJNOUIJWYRTK-SHCCKXJQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  111.0
• 可旋转键数：
  40.0
• 环数：
  21.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  371.81
• 氢给体数：
  0.0
• 氢受体数：
  36.0

反应信息

• 作为反应物：
  描述：

  在 1,3-丙二硫醇 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 28.0h， 以95%的产率得到
  参考文献：
  名称：

  Synthesis of novel highly water-soluble 2:1 cyclodextrin/fullerene conjugates involving the secondary rim of β-cyclodextrin

  摘要：

  Two novel fullerene[60]-cyclodextrin conjugates have been prepared, they display the highest solubility in water reported to date. This is the first synthesis of such conjugates in which the linker is attached to the secondary rim of beta-CD. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.10.015
• 作为产物：
  描述：

  碘甲烷 、 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以70%的产率得到
  参考文献：
  名称：

  Synthesis of novel highly water-soluble 2:1 cyclodextrin/fullerene conjugates involving the secondary rim of β-cyclodextrin

  摘要：

  Two novel fullerene[60]-cyclodextrin conjugates have been prepared, they display the highest solubility in water reported to date. This is the first synthesis of such conjugates in which the linker is attached to the secondary rim of beta-CD. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.10.015

文献信息

• Synthesis of water-soluble 2-alkylcyclodextrin–C60 conjugates and their inclusion complexation in aqueous solution
  作者：Yong Chen、Yali Wang、André Rassat、Pierre Sinaÿ、Yu Zhao、Yongmin Zhang

  DOI：10.1016/j.tet.2005.09.152

  日期：2006.2

  Two beta-cyclodextrin-C-60 conjugates (3 and 4) with a flexible linker at the secondary face of cyclodextrin are synthesized by a single reaction of 2-(omega-azidoundecanyl)-2-O-heptakis (2,3,6-tri-O-methyl)-beta-cyclodextrin (2) and C-60, both of which display satisfactory water solubility. Structural analyses show that 3 is a closed [5,6] aziridinofullerene, whereas 4 is a bis-adduct derivative. Using rhodamine B (RhB) as a guest molecule, the inclusion complexation behavior of 3 was investigated in aqueous solution. (c) 2005 Elsevier Ltd. All rights reserved.