(E)-(5-((3-amino-5-(trifluoromethyl)phenyl)diazenyl)-1,3-phenylene)bis(pyrrolidin-1-ylmethanone) | 1579999-01-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: (E)-(5-((3-amino-5-(trifluoromethyl)phenyl)diazenyl)-1,3-phenylene)bis(pyrrolidin-1-ylmethanone)
• CAS: 1579999-01-1
• 化学式: C₂₃H₂₄F₃N₅O₂
• 分子量: 459.471
• InChiKey: QCIIEBVZJDXGIF-ZQHSETAFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.18
• 重原子数：
  33.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  91.36
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (E)-(5-((3-amino-5-(trifluoromethyl)phenyl)diazenyl)-1,3-phenylene)bis(pyrrolidin-1-ylmethanone) 、 3,5-双(三氟甲基)苯基异硫氰酯 以 二氯甲烷 为溶剂， 以66%的产率得到(E)-1-(3,5-bis(trifluoromethyl)phenyl)-3-(3-((3,5-di(pyrrolidine-1-carbonyl)phenyl)-diazenyl)-5-(trifluoromethyl)phenyl)thiourea
  参考文献：
  名称：

  Photoswitchable Thioureas for the External Manipulation of Catalytic Activity

  摘要：

  A series of azobenzene-based thiourea catalysts have been developed with the aim of achieving control over the catalytic activity by the use of light. The conceptual design of these systems relies on the inactivation by means of intramolecular hydrogen bonding, only likely to take place in one of their isomeric forms. After fine structure modulation of the catalyst a substantial difference in activity has been observed between the irradiated and the nonirradiated reaction. Furthermore, the system allowed in situ manipulation of the catalyst activity during the course of a given experiment.

  DOI：

  10.1021/ol500381c
• 作为产物：
  描述：

  在 一水合肼 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 34.0h， 生成 (E)-(5-((3-amino-5-(trifluoromethyl)phenyl)diazenyl)-1,3-phenylene)bis(pyrrolidin-1-ylmethanone)
  参考文献：
  名称：

  Photoswitchable Thioureas for the External Manipulation of Catalytic Activity

  摘要：

  A series of azobenzene-based thiourea catalysts have been developed with the aim of achieving control over the catalytic activity by the use of light. The conceptual design of these systems relies on the inactivation by means of intramolecular hydrogen bonding, only likely to take place in one of their isomeric forms. After fine structure modulation of the catalyst a substantial difference in activity has been observed between the irradiated and the nonirradiated reaction. Furthermore, the system allowed in situ manipulation of the catalyst activity during the course of a given experiment.

  DOI：

  10.1021/ol500381c