5,11,17,23-Tetratert-butyl-22-hex-1-ynyl-26,27,28-tripropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15(26),16,18,21(25),22-dodecaen-25-ol | 1369968-87-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,11,17,23-Tetratert-butyl-22-hex-1-ynyl-26,27,28-tripropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15(26),16,18,21(25),22-dodecaen-25-ol
• CAS: 1369968-87-5
• 化学式: C₅₉H₈₂O₄
• 分子量: 855.298
• InChiKey: LELKAXOCNPBOPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.9
• 重原子数：
  63
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-己炔 、 23-Bromo-5,11,17,23-tetratert-butyl-26,27,28-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-undecaen-25-one 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.5h， 以98%的产率得到5,11,17,23-Tetratert-butyl-22-hex-1-ynyl-26,27,28-tripropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15(26),16,18,21(25),22-dodecaen-25-ol
  参考文献：
  名称：

  Introduction of Glyco, Peptido, Carboxy, and Alkyno Substituents at the Calixarene Exo Rim via the p-Bromodienone Route

  摘要：

  The conceptually novel "p-bromodienone route", which allows the direct introduction of nucleophiles at the calixarene exo rim, has been extended to anionic C-nucleophiles (acetylides) to give chiral meta-substituted alkynocalix[4]arenes and to appropriate O-nucleophiles to obtain para-substituted glyco, peptido, and carboxy derivatives.

  DOI：

  10.1021/jo300107g

文献信息

• Introduction of Glyco, Peptido, Carboxy, and Alkyno Substituents at the Calixarene <i>Exo</i> Rim via the <i>p</i>-Bromodienone Route
  作者：Carmine Gaeta、Francesco Troisi、Carmen Talotta、Teresa Pierro、Placido Neri

  DOI：10.1021/jo300107g

  日期：2012.4.6

  The conceptually novel "p-bromodienone route", which allows the direct introduction of nucleophiles at the calixarene exo rim, has been extended to anionic C-nucleophiles (acetylides) to give chiral meta-substituted alkynocalix[4]arenes and to appropriate O-nucleophiles to obtain para-substituted glyco, peptido, and carboxy derivatives.