| 526214-90-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• CAS: 526214-90-4
• 化学式: C₉₄H₁₂₂O₈
• 分子量: 1380.0
• InChiKey: OVMMYVWPWQEXSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.08
• 重原子数：
  102.0
• 可旋转键数：
  6.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  81.68
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以100%的产率得到5,11,17,23,29,35,41,47-octa-tert-butyl-49,50-dihydroxy-51,52,53,54,55,56-hexamethoxycalix[8]arene
  参考文献：
  名称：

  Diester intrabridging of p-tert-butylcalix[8]arene and unexpected formation of the monospirodienone derivative

  摘要：

  Reaction of p-tert-butylcalix[8]arene 1 with adipoyl chloride in the presence of NaH as the base yielded singly and doubly intrabridged esters 2-4 and 6. Surprisingly, calix[8]arene monospirodienone derivative 7 was also isolated, which was originated by 0, oxidation. The conditions of this oxidation were optimized leading to a novel synthetic approach to calixarene monospirodienones based on the O-2/NaH/acyl-chloride oxidizing system. Xantheno calix[8]arenes 8-8a were obtained by rearrangement of 7. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02485-1
• 作为产物：
  描述：

  、 碘甲烷 在 caesium carbonate 作用下， 以 丙酮 为溶剂， 以100%的产率得到
  参考文献：
  名称：

  Diester intrabridging of p-tert-butylcalix[8]arene and unexpected formation of the monospirodienone derivative

  摘要：

  Reaction of p-tert-butylcalix[8]arene 1 with adipoyl chloride in the presence of NaH as the base yielded singly and doubly intrabridged esters 2-4 and 6. Surprisingly, calix[8]arene monospirodienone derivative 7 was also isolated, which was originated by 0, oxidation. The conditions of this oxidation were optimized leading to a novel synthetic approach to calixarene monospirodienones based on the O-2/NaH/acyl-chloride oxidizing system. Xantheno calix[8]arenes 8-8a were obtained by rearrangement of 7. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02485-1