3,15-Bis(3,5-ditert-butylphenyl)-22,25-bis(4-iodophenyl)-23,24-bis(4-methylphenyl)nonacyclo[18.9.2.15,9.02,16.04,14.017,30.021,26.027,31.013,32]dotriaconta-1(30),2,4(14),5,7,9(32),10,12,15,17,19,21,23,25,27(31),28-hexadecaene | 945773-29-5

• 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: 3,15-Bis(3,5-ditert-butylphenyl)-22,25-bis(4-iodophenyl)-23,24-bis(4-methylphenyl)nonacyclo[18.9.2.15,9.02,16.04,14.017,30.021,26.027,31.013,32]dotriaconta-1(30),2,4(14),5,7,9(32),10,12,15,17,19,21,23,25,27(31),28-hexadecaene
• CAS: 945773-29-5
• 化学式: C₈₆H₇₄I₂
• 分子量: 1361.34
• InChiKey: GSNWZOSYXDQQNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.9
• 重原子数：
  88
• 可旋转键数：
  10
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  3,15-Bis(3,5-ditert-butylphenyl)-22,25-bis(4-iodophenyl)-23,24-bis(4-methylphenyl)nonacyclo[18.9.2.15,9.02,16.04,14.017,30.021,26.027,31.013,32]dotriaconta-1(30),2,4(14),5,7,9(32),10,12,15,17,19,21,23,25,27(31),28-hexadecaene 、 9-ethynyltriptycene 在 四(三苯基膦)钯 哌啶 、 copper(l) iodide 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以70%的产率得到3,15-Bis(3,5-ditert-butylphenyl)-23,24-bis(4-methylphenyl)-22,25-bis[4-[2-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)ethynyl]phenyl]nonacyclo[18.9.2.15,9.02,16.04,14.017,30.021,26.027,31.013,32]dotriaconta-1(30),2,4(14),5,7,9(32),10,12,15,17,19,21,23,25,27(31),28-hexadecaene
  参考文献：
  名称：

  Molecular machines: synthesis and characterization of two prototypes of molecular wheelbarrows

  摘要：

  Technomimetic molecules are molecules designed to imitate macroscopic objects at the molecular level, also transposing the motions that these objects are able to undergo. This article focuses on the synthesis of two polyaromatic hydrocarbons designed by analogy with macroscopic wheelbarrows. The molecular wheelbarrows are synthesized following a modular strategy based on sequential double Knoevenagel and Diels-Alder reactions. Our strategy allowed to easily vary the chemical nature of the handles, which is crucial for subsequent manipulation with an STM tip. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.019
• 作为产物：
  描述：

  3,15-Bis(3,5-ditert-butylphenyl)-22,24-bis(4-iodophenyl)nonacyclo[18.8.2.15,9.02,16.04,14.017,29.021,25.026,30.013,31]hentriaconta-1(29),2,4(14),5,7,9(31),10,12,15,17,19,21,24,26(30),27-pentadecaen-23-one 、 1,1'-(1,2-乙炔二基)二(4-甲基苯) 以 二苯醚 为溶剂， 反应 16.0h， 以49%的产率得到3,15-Bis(3,5-ditert-butylphenyl)-22,25-bis(4-iodophenyl)-23,24-bis(4-methylphenyl)nonacyclo[18.9.2.15,9.02,16.04,14.017,30.021,26.027,31.013,32]dotriaconta-1(30),2,4(14),5,7,9(32),10,12,15,17,19,21,23,25,27(31),28-hexadecaene
  参考文献：
  名称：

  Molecular machines: synthesis and characterization of two prototypes of molecular wheelbarrows

  摘要：

  Technomimetic molecules are molecules designed to imitate macroscopic objects at the molecular level, also transposing the motions that these objects are able to undergo. This article focuses on the synthesis of two polyaromatic hydrocarbons designed by analogy with macroscopic wheelbarrows. The molecular wheelbarrows are synthesized following a modular strategy based on sequential double Knoevenagel and Diels-Alder reactions. Our strategy allowed to easily vary the chemical nature of the handles, which is crucial for subsequent manipulation with an STM tip. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.019