11,22,36-Trioxaoctacyclo[26.2.2.22,5.27,10.223,26.112,16.115,18.117,21]hentetraconta-1(31),2(41),3,5(40),7,9,12(37),13,15,17,19,21(35),23(34),24,26(33),28(32),29,38-octadecaene-6,27-dione | 123853-74-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 11,22,36-Trioxaoctacyclo[26.2.2.22,5.27,10.223,26.112,16.115,18.117,21]hentetraconta-1(31),2(41),3,5(40),7,9,12(37),13,15,17,19,21(35),23(34),24,26(33),28(32),29,38-octadecaene-6,27-dione
• 英文别名: 11,22,36-trioxaoctacyclo[26.2.2.22,5.27,10.223,26.112,16.115,18.117,21]hentetraconta-1(31),2(41),3,5(40),7,9,12(37),13,15,17,19,21(35),23(34),24,26(33),28(32),29,38-octadecaene-6,27-dione
• CAS: 123853-74-7
• 化学式: C₃₈H₂₂O₅
• 分子量: 558.59
• InChiKey: XPJGPBSAXBSGHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  43
• 可旋转键数：
  0
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  65.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,8-diphenoxydibenzofuran 在 {Ni(pyridine)4}Cl2 三氯化铝 、 四丁基碘化铵 、 三苯基膦 、 锌 作用下， 以 N,N-二甲基乙酰胺 、 邻二氯苯 为溶剂， 反应 5.5h， 生成 11,22,36-Trioxaoctacyclo[26.2.2.22,5.27,10.223,26.112,16.115,18.117,21]hentetraconta-1(31),2(41),3,5(40),7,9,12(37),13,15,17,19,21(35),23(34),24,26(33),28(32),29,38-octadecaene-6,27-dione
  参考文献：
  名称：

  Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization

  摘要：

  Polymerizable macrocyclic biarylene-ether-ketones and biarylene-ether-sulfones are accessible from linear, bis(chloro)-terminated oligomers via nickel-catalyzed, intramolecular coupling under pseudo-high-dilution conditions. Single-crystal X-ray analyses of the resulting cyclo-oligomers reveal extremely distorted and highly strained geometries, with 4,4 '-biphenylene units showing deviations of up to 70 degrees from linearity.

  DOI：

  10.1021/ma0517796

文献信息

• Synthesis, structure, and ring-opening polymerisation of strained macrocyclic biaryls: a new route to high-performance materials
  作者：Howard M. Colquhoun、Christopher C. Dudman、Mark Thomas、Caroline A. O'Mahoney、David J. Williams

  DOI：10.1039/c39900000336

  日期：——

  A series of new, all-aromatic, macrocyclic biaryls have been obtained by intramolecular, nickel-promoted coupling of bis(4-chlorobenzoylphenoxy)-terminated oligomers, and single-crystal X-ray analysis of one such macrocycle reveals extreme distortion of the biaryl unit; these highly strained materials undergo rapid ring-opening polymerisation in the presence of nucleophilic initiators to give high

  通过双（4-氯苯甲酰基苯氧基）封端的分子内，镍促进的偶联，获得了一系列新的全芳族大环联芳基，一个这样的大环的单晶X射线分析表明联芳基极度变形。单元; 这些高度应变的材料在亲核引发剂的存在下进行快速的开环聚合反应，得到高分子量的聚醚酮。
• Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization
  作者：Howard M. Colquhoun、Zhixue Zhu、Christopher C. Dudman、Caroline A. O'Mahoney、David J. Williams、Michael G. B. Drew

  DOI：10.1021/ma0517796

  日期：2005.12.1

  Polymerizable macrocyclic biarylene-ether-ketones and biarylene-ether-sulfones are accessible from linear, bis(chloro)-terminated oligomers via nickel-catalyzed, intramolecular coupling under pseudo-high-dilution conditions. Single-crystal X-ray analyses of the resulting cyclo-oligomers reveal extremely distorted and highly strained geometries, with 4,4 '-biphenylene units showing deviations of up to 70 degrees from linearity.