5-butyl-3-ethoxy-4-(9H-fluoren-9-ylidene)-3,4-dihydro-2,2-dimethyl-2H-pyrrole | 1164167-34-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 5-butyl-3-ethoxy-4-(9H-fluoren-9-ylidene)-3,4-dihydro-2,2-dimethyl-2H-pyrrole
• 英文别名: 5-butyl-3-ethoxy-4-fluoren-9-ylidene-2,2-dimethyl-3H-pyrrole
• CAS: 1164167-34-3
• 化学式: C₂₅H₂₉NO
• 分子量: 359.511
• InChiKey: ISKVSHUCNWLHSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  、 (fluoren-9-ylidenel)isopropylamine 以 甲苯 为溶剂， 反应 36.0h， 以9%的产率得到5-butyl-3-ethoxy-4-(9H-fluoren-9-ylidene)-3,4-dihydro-2,2-dimethyl-2H-pyrrole
  参考文献：
  名称：

  Fluorenylidene−Pyrroline Biomimetic Light-Driven Molecular Switches

  摘要：

  A new family of biomimetic photoactivated molecular switches based in the retinal chromophore is described. Expedient synthesis allows a library of compounds with a different substitution pattern, including chiral substituents, to be obtained. The effect of substitution, solvent, and light source on the photoisomerization step has been assessed. The absorption maximum has been red-shifted ca. 50 nm with respect to related systems and rotation is now easily achieved by using visible light.

  DOI：

  10.1021/jo802792j

文献信息

• Fluorenylidene−Pyrroline Biomimetic Light-Driven Molecular Switches
  作者：Laura Rivado-Casas、Diego Sampedro、Pedro J. Campos、Stefania Fusi、Vinicio Zanirato、Massimo Olivucci

  DOI：10.1021/jo802792j

  日期：2009.7.3

  A new family of biomimetic photoactivated molecular switches based in the retinal chromophore is described. Expedient synthesis allows a library of compounds with a different substitution pattern, including chiral substituents, to be obtained. The effect of substitution, solvent, and light source on the photoisomerization step has been assessed. The absorption maximum has been red-shifted ca. 50 nm with respect to related systems and rotation is now easily achieved by using visible light.