5,11,17,23-Tetratert-butyl-26,27,28-tris(2-hydroxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol | 205043-53-4

• 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-26,27,28-tris(2-hydroxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol
• CAS: 205043-53-4
• 化学式: C₅₀H₆₈O₇
• 分子量: 781.086
• InChiKey: NADDXGDSSSSYGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  57
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  109
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  乙酸乙烯酯 、 5,11,17,23-Tetratert-butyl-26,27,28-tris(2-hydroxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol 以 甲苯 为溶剂， 以8%的产率得到2-[[5,11,17,23-Tetratert-butyl-26-hydroxy-27,28-bis(2-hydroxyethoxy)-25-pentacyclo[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-dodecaenyl]oxy]ethyl acetate
  参考文献：
  名称：

  Enzymatic synthesis of nonracemic inherently chiral calix[4]arenes by lipase-catalysed transesterification

  摘要：

  A lipase-catalysed transesterification to effect a desymmetrisation has been used to produce chiral calix[4]arene derivatives with enantiomer excesses (ee) of up to 100%. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(97)10865-6
• 作为产物：
  描述：

  4-叔丁基杯[4]芳烃-四乙酸乙酯 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 5,11,17,23-Tetratert-butyl-26,27,28-tris(2-hydroxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol
  参考文献：
  名称：

  Enzymatic synthesis of nonracemic inherently chiral calix[4]arenes by lipase-catalysed transesterification

  摘要：

  A lipase-catalysed transesterification to effect a desymmetrisation has been used to produce chiral calix[4]arene derivatives with enantiomer excesses (ee) of up to 100%. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(97)10865-6