5,5'-p-phenylenedioxy-di-valeric acid dimethyl ester | 101887-40-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,5'-p-phenylenedioxy-di-valeric acid dimethyl ester
• 英文别名: 5,5'-p-Phenylendioxy-di-valeriansaeure-dimethylester；Dimethyl 5,5'-[1,4-phenylenebis(oxy)]dipentanoate；methyl 5-[4-(5-methoxy-5-oxopentoxy)phenoxy]pentanoate
• CAS: 101887-40-5
• 化学式: C₁₈H₂₆O₆
• 分子量: 338.401
• InChiKey: JZUOYBAJTOHMEX-UHFFFAOYSA-N

物化性质

• 熔点：
  55-56 °C
• 沸点：
  442.2±35.0 °C(Predicted)
• 密度：
  1.093±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5,5'-p-phenylenedioxy-di-valeric acid dimethyl ester 在 sodium hydroxide 、 水 作用下， 反应 4.0h， 以75%的产率得到5,5'-(1,4-penylenebis(oxy))dipentanoic acid
  参考文献：
  名称：

  Unusual Solid-State Behavior in a Neutral [2]Catenane Bearing a Hydrolyzable Component

  摘要：

  A template-directed strategy to forming a bis(diimide) macrocycle through an intermediate asymmetric [2]catenane is reported. Saponification of the ester linkages within the crown ether component is much slower in the mechanically interlocked structure when compared to the free crown. The predominance of a single translational isomer leads to a dimeric structure, resulting in the generation of infinite channels within the crystal lattice.

  DOI：

  10.1021/ol036116s
• 作为产物：
  描述：

  5-氯戊腈 在 四氢糠醇 作用下， 生成 5,5'-p-phenylenedioxy-di-valeric acid dimethyl ester
  参考文献：
  名称：

  Gerecs; Windholz, Acta Chimica Academiae Scientiarum Hungaricae, 1958, vol. 16, p. 363,365

  摘要：

  DOI：

文献信息

• Gerecs; Windholz, Acta Chimica Academiae Scientiarum Hungaricae, 1958, vol. 16, p. 363,365
  作者：Gerecs、Windholz

  DOI：——

  日期：——
• Unusual Solid-State Behavior in a Neutral [2]Catenane Bearing a Hydrolyzable Component
  作者：Gary D. Fallon、Marcia A.-P. Lee、Steven J. Langford、Peter J. Nichols

  DOI：10.1021/ol036116s

  日期：2004.3.1

  A template-directed strategy to forming a bis(diimide) macrocycle through an intermediate asymmetric [2]catenane is reported. Saponification of the ester linkages within the crown ether component is much slower in the mechanically interlocked structure when compared to the free crown. The predominance of a single translational isomer leads to a dimeric structure, resulting in the generation of infinite channels within the crystal lattice.