2,2''-Diethynyl-[1,1';4',1'']terphenyl-2'-carboxylic acid methyl ester | 261713-90-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2''-Diethynyl-[1,1';4',1'']terphenyl-2'-carboxylic acid methyl ester
• CAS: 261713-90-0
• 化学式: C₂₄H₁₆O₂
• 分子量: 336.39
• InChiKey: WLECCNZKNNEJBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.77
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2,2''-Diethynyl-[1,1';4',1'']terphenyl-2'-carboxylic acid methyl ester 在 吡啶 、 copper diacetate 作用下， 以 乙醚 为溶剂， 反应 3.0h， 以64%的产率得到
  参考文献：
  名称：

  The Synthesis of a Novel Strained Diyneparacyclophane and Its Dimer by Metal-Mediated Coupling

  摘要：

  Relieve strain with a twist! Synthesis of the paracyclophane 1 and its dimer 2 employed a sequence of metal-mediated couplings. The X-ray analysis of 2 revealed a helical twist inherent in this structure, which created extended arms, that trapped a molecule of solvent. A carboxylic acid derivative of 1 was also prepared, and its structure indicated the diyne rod moiety of 1 is distorted more than in analogous compounds.

  DOI：

  10.1002/(sici)1521-3773(20000117)39:2<385::aid-anie385>3.0.co;2-i
• 作为产物：
  描述：

  2,2''-Bis-trimethylsilanylethynyl-[1,1';4',1'']terphenyl-2'-carboxylic acid methyl ester 在 水 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 3.0h， 以99%的产率得到2,2''-Diethynyl-[1,1';4',1'']terphenyl-2'-carboxylic acid methyl ester
  参考文献：
  名称：

  The Synthesis of a Novel Strained Diyneparacyclophane and Its Dimer by Metal-Mediated Coupling

  摘要：

  Relieve strain with a twist! Synthesis of the paracyclophane 1 and its dimer 2 employed a sequence of metal-mediated couplings. The X-ray analysis of 2 revealed a helical twist inherent in this structure, which created extended arms, that trapped a molecule of solvent. A carboxylic acid derivative of 1 was also prepared, and its structure indicated the diyne rod moiety of 1 is distorted more than in analogous compounds.

  DOI：

  10.1002/(sici)1521-3773(20000117)39:2<385::aid-anie385>3.0.co;2-i