2,8,14,20-Tetrakis(4-methylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol | 1069132-61-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 2,8,14,20-Tetrakis(4-methylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol
• CAS: 1069132-61-1
• 化学式: C₅₆H₄₈O₁₂
• 分子量: 912.99
• InChiKey: PCHWZYXWNNJSLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  68
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  243
• 氢给体数：
  12
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  对甲基苯甲醛 、 邻苯三酚 反应 0.08h， 以87%的产率得到2,8,14,20-Tetrakis(4-methylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol
  参考文献：
  名称：

  Microwave-assisted synthesis of resorcin[4]arene and pyrogallol[4]arene macrocycles

  摘要：

  A series of resorcin[4]arene and pyrogallol[4]arene macrocycles have been synthesized efficiently within 5 min, affording crystalline products suitable for single crystal X-ray diffraction, utilising microwave irradiation in a 'one-pot' reaction whilst controlling the selective formation of the rccc cone stereoisomer. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.09.115

文献信息

• Microwave-assisted synthesis of resorcin[4]arene and pyrogallol[4]arene macrocycles
  作者：Muriel Funck、Daniel P. Guest、Gareth W.V. Cave

  DOI：10.1016/j.tetlet.2010.09.115

  日期：2010.12

  A series of resorcin[4]arene and pyrogallol[4]arene macrocycles have been synthesized efficiently within 5 min, affording crystalline products suitable for single crystal X-ray diffraction, utilising microwave irradiation in a 'one-pot' reaction whilst controlling the selective formation of the rccc cone stereoisomer. (C) 2010 Elsevier Ltd. All rights reserved.