(E)-2,3-bis[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]but-2-enedinitrile | 1001203-20-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (E)-2,3-bis[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]but-2-enedinitrile
• CAS: 1001203-20-8
• 化学式: C₃₈H₅₀N₂O₁₀
• 分子量: 694.822
• InChiKey: LBQDLVZHLQEGPC-ULDVOPSXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  50
• 可旋转键数：
  24
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  140
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2-(4-(2-(2-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethoxy)ethoxy)ethoxy)phenyl)acetonitrile 在 四氯化碳 、 sodium hydroxide 、 四丁基氯化铵 作用下， 反应 12.0h， 以38%的产率得到(E)-2,3-bis[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]but-2-enedinitrile
  参考文献：
  名称：

  Multigram Synthesis of a Water-Soluble Porphyrazine and Derived seco-Porphyrazine Labeling Agents

  摘要：

  Porphyrazine III has been synthesized on a large scale (18.4 g), with minimal chromatographic purification by employing a novel one-pot, 3-step sequence. Two dinitrile precursors I and II, the latter of which consisted of a mixture of geometric isomers, were transformed, via the corresponding pyrroline diimines, into a mixture of III and the octa-Ar-1-porphyrazine. Isolated macrocycle III was subsequently transformed into IV, a water-soluble seco-porphyrazine suitable for the labeling of biological vectors.

  DOI：

  10.1021/ol702481x

文献信息

• Multigram Synthesis of a Water-Soluble Porphyrazine and Derived <i>seco</i>-Porphyrazine Labeling Agents
  作者：Xavier Guinchard、Matthew J. Fuchter、Andrea Ruggiero、Brian J. Duckworth、Anthony G. M. Barrett、Brian M. Hoffman

  DOI：10.1021/ol702481x

  日期：2007.12.1

  Porphyrazine III has been synthesized on a large scale (18.4 g), with minimal chromatographic purification by employing a novel one-pot, 3-step sequence. Two dinitrile precursors I and II, the latter of which consisted of a mixture of geometric isomers, were transformed, via the corresponding pyrroline diimines, into a mixture of III and the octa-Ar-1-porphyrazine. Isolated macrocycle III was subsequently transformed into IV, a water-soluble seco-porphyrazine suitable for the labeling of biological vectors.