dibutyl (4bR,4cR,4c1R,4c1R,8bR,8b1R,8b1R,8cR)-4c,8b,8c,8c1-tetrahydrodibenzo[b,h]dicyclobuta[def,jkl]biphenylene-4b1,8b1(4bH,4c1H)-dicarboxylate | 60665-88-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: dibutyl (4bR,4cR,4c1R,4c1R,8bR,8b1R,8b1R,8cR)-4c,8b,8c,8c1-tetrahydrodibenzo[b,h]dicyclobuta[def,jkl]biphenylene-4b1,8b1(4bH,4c1H)-dicarboxylate
• CAS: 60665-88-5
• 化学式: C₃₀H₃₂O₄
• 分子量: 456.582
• InChiKey: JPJVQWSBPXIRSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.68
• 重原子数：
  34.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  丁基萘-2-羧酸酯 在 cucurbit[8]uril 作用下， 以 水 为溶剂， 反应 2.0h， 以100%的产率得到dibutyl (4bR,4cR,4c1R,4c1R,8bR,8b1R,8b1R,8cR)-4c,8b,8c,8c1-tetrahydrodibenzo[b,h]dicyclobuta[def,jkl]biphenylene-4b1,8b1(4bH,4c1H)-dicarboxylate
  参考文献：
  名称：

  Cucurbit[8]uril-mediated photodimerization of alkyl 2-naphthoate in aqueous solution

  摘要：

  The photodimerization of methyl 2-naphthoate (1), ethyl 2-naphthoate (2) and butyl 2-naphthoate (3) in cucurbituril (CB) aqueous solution was investigated. The product distribution and fluorescence spectral changes suggest that CB[S] can encapsulate two molecules of alkyl 2-naphthoate (1 or 2) and thereby facilitate a cubane-like photodimer formation. Subtle changes in either cavity size of CB[n] or alkyl substitutes can significantly modulate the interaction of CB[n] with 2-naphthoate derivatives affording remarkable alterations in their photochemical reactivity. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.12.114