25,27-bis[2-(4-hydroxyphenyl)ethoxy]-26,28-dihydroxy-p-tert-butylcalix[4]arene | 197796-05-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 25,27-bis[2-(4-hydroxyphenyl)ethoxy]-26,28-dihydroxy-p-tert-butylcalix[4]arene
• 英文别名: 5,11,17,23-tetratert-butyl-26,28-bis[2-(4-hydroxyphenyl)ethoxy]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-dodecaene-25,27-diol
• CAS: 197796-05-7
• 化学式: C₆₀H₇₂O₆
• 分子量: 889.228
• InChiKey: WLEWBRDXYCVXQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.62
• 重原子数：
  66.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  99.38
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2,6-bis(bromomethyl)-4-tert-butylphenol 、 25,27-bis[2-(4-hydroxyphenyl)ethoxy]-26,28-dihydroxy-p-tert-butylcalix[4]arene 在 zinc diacetate 作用下， 以 溶剂黄146 为溶剂， 以0.9%的产率得到14,29,35,41,46,56-hexatert-butyl-3,25-dioxaundecacyclo[25.15.7.78,20.16,10.112,16.118,22.133,37.144,48.02,39.026,31.154,58]dohexaconta-1,6(61),7,9,12,14,16(60),18,20,22(52),26,28,30,33(51),34,36,39,41,44,46,48(50),54(62),55,57-tetracosaene-9,19,50,51,60,62-hexol
  参考文献：
  名称：

  Head-to-tail connected double calix[4]arenes

  摘要：

  New macrotricyclic compounds consisting of two calix[4]arene substructures connected by aliphatic chains of various length (three to five carbon atoms) between two opposite p-positions and two distal phenolic oxygens have been synthesized. Starting with p-tert-butyl-calix[4] arene, two O-protected phenolic units are attached via ether links in 1,3-position by reaction with the corresponding tosylates. After deprotection, the new calix[4]arene is formed by fragment condensation with 2,6-bisbromomethylated 4-alkylphenols. The structure of one example (8c) has been confirmed by single crystal X-ray analysis. Both calixarene parts assume the cone conformation, a molecule of acetonitrile being included in both cavities.

  DOI：

  10.1007/bf00807096
• 作为产物：
  描述：

  25,27-bis(2-(4-benzyloxyphenyl)ethoxy)-26,28-dihydroxy-p-tert-butylcalix[4]arene 在 palladium on activated charcoal 氢气 作用下， 以 溶剂黄146 为溶剂， 反应 7.0h， 以94%的产率得到25,27-bis[2-(4-hydroxyphenyl)ethoxy]-26,28-dihydroxy-p-tert-butylcalix[4]arene
  参考文献：
  名称：

  Head-to-tail connected double calix[4]arenes

  摘要：

  New macrotricyclic compounds consisting of two calix[4]arene substructures connected by aliphatic chains of various length (three to five carbon atoms) between two opposite p-positions and two distal phenolic oxygens have been synthesized. Starting with p-tert-butyl-calix[4] arene, two O-protected phenolic units are attached via ether links in 1,3-position by reaction with the corresponding tosylates. After deprotection, the new calix[4]arene is formed by fragment condensation with 2,6-bisbromomethylated 4-alkylphenols. The structure of one example (8c) has been confirmed by single crystal X-ray analysis. Both calixarene parts assume the cone conformation, a molecule of acetonitrile being included in both cavities.

  DOI：

  10.1007/bf00807096