5,17-diallyl-25,26,27,28-tetrakis[[(methoxycarbonyl)methylene]oxy]calix[4]arene | 200719-84-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5,17-diallyl-25,26,27,28-tetrakis[[(methoxycarbonyl)methylene]oxy]calix[4]arene
• 英文别名: Methyl 2-[[26,27,28-tris(2-methoxy-2-oxoethoxy)-5,17-bis(prop-2-enyl)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate
• CAS: 200719-84-2
• 化学式: C₄₆H₄₈O₁₂
• 分子量: 792.88
• InChiKey: XYUOEBKDTWAIMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  58
• 可旋转键数：
  20
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  142
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  5,17-diallyl-25,26,27,28-tetrakis[[(methoxycarbonyl)methylene]oxy]calix[4]arene 在 Grubbs catalyst first generation 作用下， 以 苯 为溶剂， 以83%的产率得到methyl 2-[[(26E)-29,31,32-tris(2-methoxy-2-oxoethoxy)-30-hexacyclo[11.11.4.13,23.15,9.111,15.117,21]dotriaconta-1,3(29),5(32),6,8,11(31),12,14,17,19,21(30),23,26-tridecaenyl]oxy]acetate
  参考文献：
  名称：

  Synthesis of Bridged, Multifunctional Calixarenes via Ring Closing Metathesis

  摘要：

  Ring-closing metathesis catalyzed by RuCl2(CHPh)(PCy3)(2) has been used to synthesize calix[4]arenes in cane and 1,3-alternate conformations with upper and lower rim alkenyl bridges. Ester, methoxy, and hydroxy groups have been used to probe the effect of substituents on the mode of metathesis. With some substrates, intermolecular metathesis competes with the intramolecular process leading to oligocalix[4]arenes. X-ray diffraction has been used to reveal the molecular structures of two single-bridged calix[4]arenes and of a double-bridged calix[4]arene.

  DOI：

  10.1021/jo970887q
• 作为产物：
  描述：

  25,27-dihydroxy-26,28-bis(prop-2-en-1-yloxy)calix[4]arene 在 potassium carbonate 、 N,N-二乙基苯胺 作用下， 以 丙酮 为溶剂， 反应 74.0h， 生成 5,17-diallyl-25,26,27,28-tetrakis[[(methoxycarbonyl)methylene]oxy]calix[4]arene
  参考文献：
  名称：

  Synthesis of Bridged, Multifunctional Calixarenes via Ring Closing Metathesis

  摘要：

  Ring-closing metathesis catalyzed by RuCl2(CHPh)(PCy3)(2) has been used to synthesize calix[4]arenes in cane and 1,3-alternate conformations with upper and lower rim alkenyl bridges. Ester, methoxy, and hydroxy groups have been used to probe the effect of substituents on the mode of metathesis. With some substrates, intermolecular metathesis competes with the intramolecular process leading to oligocalix[4]arenes. X-ray diffraction has been used to reveal the molecular structures of two single-bridged calix[4]arenes and of a double-bridged calix[4]arene.

  DOI：

  10.1021/jo970887q

文献信息

• Synthesis of Bridged, Multifunctional Calixarenes via Ring Closing Metathesis
  作者：Miguel Pitarch、Vickie McKee、Mark Nieuwenhuyzen、M. Anthony McKervey

  DOI：10.1021/jo970887q

  日期：1998.2.1

  Ring-closing metathesis catalyzed by RuCl2(CHPh)(PCy3)(2) has been used to synthesize calix[4]arenes in cane and 1,3-alternate conformations with upper and lower rim alkenyl bridges. Ester, methoxy, and hydroxy groups have been used to probe the effect of substituents on the mode of metathesis. With some substrates, intermolecular metathesis competes with the intramolecular process leading to oligocalix[4]arenes. X-ray diffraction has been used to reveal the molecular structures of two single-bridged calix[4]arenes and of a double-bridged calix[4]arene.