11,17,23-Tritert-butyl-25,26,27-tripropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,28-diol | 518981-41-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 11,17,23-Tritert-butyl-25,26,27-tripropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,28-diol
• 英文别名: 11,17,23-tritert-butyl-25,26,27-tripropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,28-diol
• CAS: 518981-41-4
• 化学式: C₄₉H₆₆O₅
• 分子量: 735.06
• InChiKey: RJIOYJJVKRWCOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.6
• 重原子数：
  54
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  68.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  11,17,23-Tritert-butyl-25,26,27-tripropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,28-diol 在 亚硝酸特丁酯 、 三氟乙酸 作用下， 以 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Nitric Oxide Release Mediated by Calix[4]hydroquinones

  摘要：

  Calix[4]monohydroquinone has been used as a supramolecular system for the generation of NO gas. In a one-electron reduction scheme involving NO+subset of calix[4]monohydroquinone complex, NO is released without the presence of an external reducing agent. Free calix[4]monoquinone, thus obtained, can be reused for a new NO-releasing cycle after NaBH4-reduction to calix[4]monohydroquinone.

  DOI：

  10.1021/ol800156m
• 作为产物：
  描述：

  11,17,23-Tritert-butyl-25,26,27-tripropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,11,13(27),15(26),16,18,21(25),22-undecaene-5,28-dione 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 2.0h， 以49%的产率得到11,17,23-Tritert-butyl-25,26,27-tripropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,28-diol
  参考文献：
  名称：

  Nitric Oxide Release Mediated by Calix[4]hydroquinones

  摘要：

  Calix[4]monohydroquinone has been used as a supramolecular system for the generation of NO gas. In a one-electron reduction scheme involving NO+subset of calix[4]monohydroquinone complex, NO is released without the presence of an external reducing agent. Free calix[4]monoquinone, thus obtained, can be reused for a new NO-releasing cycle after NaBH4-reduction to calix[4]monohydroquinone.

  DOI：

  10.1021/ol800156m

文献信息

• Nitric Oxide Release Mediated by Calix[4]hydroquinones
  作者：Eranda Wanigasekara、Carmine Gaeta、Placido Neri、Dmitry M. Rudkevich

  DOI：10.1021/ol800156m

  日期：2008.3.1

  Calix[4]monohydroquinone has been used as a supramolecular system for the generation of NO gas. In a one-electron reduction scheme involving NO+subset of calix[4]monohydroquinone complex, NO is released without the presence of an external reducing agent. Free calix[4]monoquinone, thus obtained, can be reused for a new NO-releasing cycle after NaBH4-reduction to calix[4]monohydroquinone.