3-[[25,29,33,37-Tetrahexyl-12,18,39-tris[(3-hydroxyphenyl)methoxy]-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaen-6-yl]oxymethyl]phenol | 172746-86-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-[[25,29,33,37-Tetrahexyl-12,18,39-tris[(3-hydroxyphenyl)methoxy]-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaen-6-yl]oxymethyl]phenol
• CAS: 172746-86-0
• 化学式: C₈₄H₉₆O₁₆
• 分子量: 1361.68
• InChiKey: ZGFIXRPSXFPPEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.5
• 重原子数：
  100
• 可旋转键数：
  32
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  192
• 氢给体数：
  4
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  5'-phenyl-2,6,2",6"-tetrakis(bromomethyl)-1,1':3',1"-terphenyl 、 3-[[25,29,33,37-Tetrahexyl-12,18,39-tris[(3-hydroxyphenyl)methoxy]-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaen-6-yl]oxymethyl]phenol 在 potassium carbonate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 以13%的产率得到
  参考文献：
  名称：

  Synthesis of novel lantern-shaped molecules based on resorcin[4]arene and m-terphenyl units

  摘要：

  Novel lantern-shaped molecules with a large enclosure were synthesized by taking advantage of resorcin[4]arene and m-terphenyl units as the capping and bottom fragments, respectively. Two conformers with different cavity volume were obtained selectively by changing the substituent on the bottom unit.

  DOI：

  10.1016/0040-4039(95)01610-t
• 作为产物：
  描述：

  在 sodium hydroxide 、 正丁基锂 、 硼酸三甲酯 、 双氧水 作用下， 生成 3-[[25,29,33,37-Tetrahexyl-12,18,39-tris[(3-hydroxyphenyl)methoxy]-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaen-6-yl]oxymethyl]phenol
  参考文献：
  名称：

  Synthesis of novel lantern-shaped molecules based on resorcin[4]arene and m-terphenyl units

  摘要：

  Novel lantern-shaped molecules with a large enclosure were synthesized by taking advantage of resorcin[4]arene and m-terphenyl units as the capping and bottom fragments, respectively. Two conformers with different cavity volume were obtained selectively by changing the substituent on the bottom unit.

  DOI：

  10.1016/0040-4039(95)01610-t

文献信息

• Desilylation-triggered isomerization of a molecular capsule from an open-type to a collapsed-type isomer
  作者：Soichiro Watanabe、Kei Goto、Takayuki Kawashima、Renji Okazaki

  DOI：10.1016/s0040-4039(99)00574-2

  日期：1999.4

  Desilylation of a triphenylsilyl-substituted molecular capsule 1b(C) bearing a large inner space afforded 1a(C) with similar conformation, which underwent unidirectional and complete isomerization to a thermodynamically more favored isomer 1a(V) with a collapsed inner space by gentle heating in CDCl3. (C) 1999 Elsevier Science Ltd. All rights reserved.