1-{4-[2-(2-{2-[2-(4-Propynoyl-phenoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-phenyl}-propynone | 857336-09-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-{4-[2-(2-{2-[2-(4-Propynoyl-phenoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-phenyl}-propynone
• CAS: 857336-09-5
• 化学式: C₂₆H₂₆O₇
• 分子量: 450.488
• InChiKey: DQWNSYWEIKWHDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.83
• 重原子数：
  33.0
• 可旋转键数：
  16.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  80.29
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  1-{4-[2-(2-{2-[2-(4-Propynoyl-phenoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-phenyl}-propynone 、 3 - （二甲氨基）- 1 -苯基 -2-丙烯-1-酮 以 甲苯 为溶剂， 反应 120.0h， 以49%的产率得到5-Benzoyl-13,16,19,22,25-pentaoxatetracyclo[24.2.2.29,12.13,7]tritriaconta-1(28),3(33),4,6,9(32),10,12(31),26,29-nonaene-2,8-dione
  参考文献：
  名称：

  Modular synthesis of triaroylbenzene-derived crownophanes

  摘要：

  An isomeric series of homologous crownophanes (i.e., macrocycles possessing structural features of crown ethers and cyclophanes) has been prepared via a concise and modular synthetic route. Macrocyclization is achieved in reasonable yield during the course of an enammone-triggered benzarmulation with bis(aryl ethynyl ketone) reaction partners. The crownophanes examined were active alkali cation binding agents in the gas phase, but failed to exhibit ionophoric properties in solution. On the basis of X-ray crystallographic analysis, it is concluded that the cyclophane framework of these macrocycles is too large and rigid to allow efficient interaction with the cations examined. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.03.072
• 作为产物：
  描述：

  1,13-bis-(4-formylphenyl)-1,4,7,10,13-pentaoxatridecane 在 铬酸 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 2.0h， 生成 1-{4-[2-(2-{2-[2-(4-Propynoyl-phenoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-phenyl}-propynone
  参考文献：
  名称：

  Modular synthesis of triaroylbenzene-derived crownophanes

  摘要：

  An isomeric series of homologous crownophanes (i.e., macrocycles possessing structural features of crown ethers and cyclophanes) has been prepared via a concise and modular synthetic route. Macrocyclization is achieved in reasonable yield during the course of an enammone-triggered benzarmulation with bis(aryl ethynyl ketone) reaction partners. The crownophanes examined were active alkali cation binding agents in the gas phase, but failed to exhibit ionophoric properties in solution. On the basis of X-ray crystallographic analysis, it is concluded that the cyclophane framework of these macrocycles is too large and rigid to allow efficient interaction with the cations examined. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.03.072