5,11,17,23-tetrakis(methoxymethyl)-25,26,27,28-tetrapropoxycalix<4>arene

• 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-tetrakis(methoxymethyl)-25,26,27,28-tetrapropoxycalix<4>arene
• 英文别名: 5,11,17,23-Tetrakis(methoxymethyl)-25,26,27,28-tetrapropoxypentacyclo[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；5,11,17,23-tetrakis(methoxymethyl)-25,26,27,28-tetrapropoxypentacyclo[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
• 化学式: C₄₈H₆₄O₈
• 分子量: 769.031
• InChiKey: AIAVSYXNZLSQCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  56
• 可旋转键数：
  20
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  73.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  25,26,27,28-tetrapropyloxycalix[4]arene 生成 5,11,17,23-tetrakis(methoxymethyl)-25,26,27,28-tetrapropoxycalix<4>arene
  参考文献：
  名称：

  Unusually high ionophoricity of 1,3-alternate-calix[4]arenes: π-Donor participation in the complexation of cations?

  摘要：

  It was found that 1,3-alternate-calix[4]arenes having cavities composed of two oxygens and two benzene rings show the metal affinity much higher than cone-calix[4]arenes having a cavity composed of four oxygens. The unexpected finding is most likely rationalized in terms of the "pi-donor participation" in the metal complexation.

  DOI：

  10.1016/s0040-4039(00)60194-6

文献信息

• Unusually high ionophoricity of 1,3-alternate-calix[4]arenes: π-Donor participation in the complexation of cations?
  作者：Atsushi Ikeda、Seiji Shinkai

  DOI：10.1016/s0040-4039(00)60194-6

  日期：1992.11

  It was found that 1,3-alternate-calix[4]arenes having cavities composed of two oxygens and two benzene rings show the metal affinity much higher than cone-calix[4]arenes having a cavity composed of four oxygens. The unexpected finding is most likely rationalized in terms of the "pi-donor participation" in the metal complexation.
• Ikeda, Atsushi; Tsuzuki, Hirohisa; Shinkai, Seiji, Journal of the Chemical Society. Perkin transactions II, 1994, # 10, p. 2073 - 2080
  作者：Ikeda, Atsushi、Tsuzuki, Hirohisa、Shinkai, Seiji

  DOI：——

  日期：——
• Ikeda, Atsushi; Shinkai, Seiji, Journal of the American Chemical Society, 1994, vol. 116, # 7, p. 3102 - 3110
  作者：Ikeda, Atsushi、Shinkai, Seiji

  DOI：——

  日期：——