| 1414968-83-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1414968-83-4
• 化学式: C₄₄H₅₀N₄O₈
• 分子量: 762.903
• InChiKey: RDTCQAWDLYXYPZ-XVIFHXHVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.39
• 重原子数：
  56.0
• 可旋转键数：
  4.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  105.04
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  生成
  参考文献：
  名称：

  Photolariats: synthesis, metal ion complexation and photochromism

  摘要：

  Photolariat development, as an extension to the family of synthetic photochromic crown ether receptors, or photocrowns, is reported. Incorporated additional chelating groups, namely two anisoles or thioanisoles, contribute in completing the metal ion coordination sphere with different affinities and selectivities for a range of ions. Single-crystal X-ray diffraction analysis suggests that the thermally stable trans-form of the receptor is unsuitable for ion binding, consistent with spectrophotometric and NMR titration results, which is largely improved in the cis-form as the basis for the photocontrolled ion coordination/ejection. In terms of the azobenzene-containing receptor photochemistry, a photostationary state highly enriched in the cis-form (94:6, cis-/trans-) is reached, with slow thermal return (1.1-1.4 x 10(-5) s(-1)) in the dark, which can undergo multiple cycles without discernable photodegradation.

  DOI：

  10.1080/10610278.2012.678851
• 作为产物：
  描述：

  生成
  参考文献：
  名称：

  Photolariats: synthesis, metal ion complexation and photochromism

  摘要：

  Photolariat development, as an extension to the family of synthetic photochromic crown ether receptors, or photocrowns, is reported. Incorporated additional chelating groups, namely two anisoles or thioanisoles, contribute in completing the metal ion coordination sphere with different affinities and selectivities for a range of ions. Single-crystal X-ray diffraction analysis suggests that the thermally stable trans-form of the receptor is unsuitable for ion binding, consistent with spectrophotometric and NMR titration results, which is largely improved in the cis-form as the basis for the photocontrolled ion coordination/ejection. In terms of the azobenzene-containing receptor photochemistry, a photostationary state highly enriched in the cis-form (94:6, cis-/trans-) is reached, with slow thermal return (1.1-1.4 x 10(-5) s(-1)) in the dark, which can undergo multiple cycles without discernable photodegradation.

  DOI：

  10.1080/10610278.2012.678851