25,27-bis<3-(4-hydroxyphenyl)propoxy>-26,28-dihydroxy-p-tert-butylcalix<4>arene | 154501-22-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 25,27-bis<3-(4-hydroxyphenyl)propoxy>-26,28-dihydroxy-p-tert-butylcalix<4>arene
• 英文别名: 25,27-bis[3-(4-hydroxyphenyl)propoxy]-26,28-dihydroxy-p-tert-butylcalix[4]arene；5,11,17,23-tetratert-butyl-26,28-bis[3-(4-hydroxyphenyl)propoxy]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: 154501-22-1
• 化学式: C₆₂H₇₆O₆
• 分子量: 917.282
• InChiKey: RHIQHWGRCQSYNN-UHFFFAOYSA-N

物化性质

• 熔点：
  111-120 °C
• 沸点：
  939.4±65.0 °C(predicted)
• 密度：
  1.107±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  14.4
• 重原子数：
  68.0
• 可旋转键数：
  10.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.42
• 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<3-(4-hydroxyphenyl)propoxy>-26,28-dihydroxy-p-tert-butylcalix<4>arene 在 zinc diacetate 作用下， 以 溶剂黄146 为溶剂， 以10%的产率得到15,31,37,43,48,58-hexatert-butyl-3,27-dioxaundecacyclo[27.15.7.79,21.17,11.113,17.119,23.135,39.146,50.02,41.028,33.156,60]tetrahexaconta-1,7(63),8,10,13,15,17(62),19,21,23(54),28,30,32,35(53),36,38,41,43,46,48,50(52),56(64),57,59-tetracosaene-10,20,52,53,62,64-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：

  3-[4-(苄氧基)苯基]丙酸 在 palladium on activated charcoal 吡啶 、 lithium aluminium tetrahydride 、 氢气 、 potassium carbonate 作用下， 以 乙醚 、 氯仿 、 溶剂黄146 、 乙腈 为溶剂， 反应 40.0h， 生成 25,27-bis<3-(4-hydroxyphenyl)propoxy>-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

文献信息

• Wasikiewicz, Wojciech; Rokicki, Gabriel; Kielkiewicz, Jedrzej, Angewandte Chemie, 1994, vol. 106, # 2, p. 230 - 232
  作者：Wasikiewicz, Wojciech、Rokicki, Gabriel、Kielkiewicz, Jedrzej、Boehmer, Volker

  DOI：——

  日期：——