2-trimethylsilylethyl 2,4-dioxo-10-[4-[(E)-3-oxo-3-(2-trimethylsilylethoxy)prop-1-enyl]phenyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylate | 199169-42-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-trimethylsilylethyl 2,4-dioxo-10-[4-[(E)-3-oxo-3-(2-trimethylsilylethoxy)prop-1-enyl]phenyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylate
• CAS: 199169-42-1
• 化学式: C₃₂H₃₆O₇Si₂
• 分子量: 588.805
• InChiKey: SPIAUJQMWZGFJJ-CXUHLZMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.21
• 重原子数：
  41
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  96
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  联苯胺 、 2-trimethylsilylethyl 2,4-dioxo-10-[4-[(E)-3-oxo-3-(2-trimethylsilylethoxy)prop-1-enyl]phenyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylate 在 zinc diacetate 作用下， 以 甲苯 为溶剂， 以38%的产率得到2-trimethylsilylethyl 2-[4-[4-[1,3-dioxo-6-[4-[(E)-3-oxo-3-(2-trimethylsilylethoxy)prop-1-enyl]phenyl]-7-(2-trimethylsilylethoxycarbonyl)benzo[de]isoquinolin-2-yl]phenyl]phenyl]-1,3-dioxo-7-[4-[(E)-3-oxo-3-(2-trimethylsilylethoxy)prop-1-enyl]phenyl]benzo[de]isoquinoline-6-carboxylate
  参考文献：
  名称：

  Heterocycles in Organic Materials Chemistry. Synthesis of Di-, Tri-, and Tetraimide Polycarboxylic Acids for Use in Organic Network Assembly

  摘要：

  DOI：

  10.3987/com-01-9242
• 作为产物：
  描述：

  2-(三甲硅基)乙醇 在 4-二甲氨基吡啶 、 potassium dichromate 、 copper(l) iodide 、 四(三苯基膦)钯 作用下， 以 二氯甲烷 、 溶剂黄146 、 甲苯 为溶剂， 反应 87.0h， 生成 2-trimethylsilylethyl 2,4-dioxo-10-[4-[(E)-3-oxo-3-(2-trimethylsilylethoxy)prop-1-enyl]phenyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylate
  参考文献：
  名称：

  Toward Covalently Linked Organic Networks:  Model Studies and Connector Syntheses

  摘要：

  A model 1-naphthoic acid bearing a peri-positioned cinnamic acid residue crystallizes as a closed H-bonded dimer. Irradiation of this crystalline solid provides an alpha-truxillate-type cyclobutane photodimer in quantitative yield, Further synthesis studies have led to more highly functionalized naphthoic/cinnamic acid species capable of(pseudo)centrosymmetric attachment to polyvalent hubs, This system demonstrates the feasibility of designing a covalent molecular connector whose orientation is encoded by its H-bonding pattern.

  DOI：

  10.1021/jo9714167

文献信息

• Heterocycles in Organic Materials Chemistry. Synthesis of Di-, Tri-, and Tetraimide Polycarboxylic Acids for Use in Organic Network Assembly
  作者：Ken S. Feldman、Yanze Liu、Joe C. Saunders、Katherine M. Masters、Robert F. Campbell

  DOI：10.3987/com-01-9242

  日期：——
• Toward Covalently Linked Organic Networks:  Model Studies and Connector Syntheses
  作者：Ken S. Feldman、Robert F. Campbell、Joe C. Saunders、Chuljin Ahn、Katherine M. Masters

  DOI：10.1021/jo9714167

  日期：1997.12.1

  A model 1-naphthoic acid bearing a peri-positioned cinnamic acid residue crystallizes as a closed H-bonded dimer. Irradiation of this crystalline solid provides an alpha-truxillate-type cyclobutane photodimer in quantitative yield, Further synthesis studies have led to more highly functionalized naphthoic/cinnamic acid species capable of(pseudo)centrosymmetric attachment to polyvalent hubs, This system demonstrates the feasibility of designing a covalent molecular connector whose orientation is encoded by its H-bonding pattern.