2,8,14,20-tetra(phthalimidomethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,1,13(27),15,17,19(26),21,23-dodecaen-4,6,10,12,16,18,22,24-octol | 959925-96-3

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 2,8,14,20-tetra(phthalimidomethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,1,13(27),15,17,19(26),21,23-dodecaen-4,6,10,12,16,18,22,24-octol
• 英文别名: 2,8,14,20-tetra(phthalimidomethyl)pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,1,13(27),15,17,19(26),21,23-dodecaen-4,6,10,12,16,18,22,24-octol
• CAS: 959925-96-3
• 化学式: C₆₄H₄₄N₄O₁₆
• 分子量: 1125.07
• InChiKey: FEQDUBUTRRADTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.36
• 重原子数：
  84.0
• 可旋转键数：
  8.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  311.36
• 氢给体数：
  8.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  2,8,14,20-tetra(phthalimidomethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,1,13(27),15,17,19(26),21,23-dodecaen-4,6,10,12,16,18,22,24-octol 在 碳酸氢钠 、 一水合肼 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 66.0h， 生成 2,8,14,20-tetra[N-(phenylcarbamoyl)aminomethyl]pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,1,13(27),15,17,19(26),21,23-dodecaen-4,6,10,12,16,18,22,24-octol
  参考文献：
  名称：

  Reaction of N-(2,2-Dimethoxyethyl)-N-methylamine and its N-functional derivatives with resorcinol and 2-methylresorcinol. Calix[4]resorcinols functionalized on the lower rim

  摘要：

  Reactions of N-(2,2-Dimethoxyethyl)-N-methylamine and its derivatives with resorcinol and 2-methylresorcinol were studied. Calix[4]resorcinols having aminometyl groups of various structure on the lower rim were obtained.

  DOI：

  10.1134/s1070363207010136
• 作为产物：
  描述：

  苯二酰亚氨乙醛二乙基乙缩醛 、 间苯二酚 在 三氟甲磺酸 作用下， 以 正己烷 为溶剂， 反应 16.0h， 以88%的产率得到2,8,14,20-tetra(phthalimidomethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,1,13(27),15,17,19(26),21,23-dodecaen-4,6,10,12,16,18,22,24-octol
  参考文献：
  名称：

  Reaction of N-(2,2-Dimethoxyethyl)-N-methylamine and its N-functional derivatives with resorcinol and 2-methylresorcinol. Calix[4]resorcinols functionalized on the lower rim

  摘要：

  Reactions of N-(2,2-Dimethoxyethyl)-N-methylamine and its derivatives with resorcinol and 2-methylresorcinol were studied. Calix[4]resorcinols having aminometyl groups of various structure on the lower rim were obtained.

  DOI：

  10.1134/s1070363207010136