(E)-diethyl 5-((3-aminophenyl)diazenyl)isophthalate | 1579999-02-2

• 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)-diethyl 5-((3-aminophenyl)diazenyl)isophthalate
• CAS: 1579999-02-2
• 化学式: C₁₈H₁₉N₃O₄
• 分子量: 341.367
• InChiKey: GNPBVMBGXXHRKO-QZQOTICOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.04
• 重原子数：
  25.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  103.34
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (E)-diethyl 5-((3-aminophenyl)diazenyl)isophthalate 、 3,5-双(三氟甲基)苯基异硫氰酯 以 二氯甲烷 为溶剂， 以42%的产率得到(E)-diethyl 5-((3-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)phenyl)diazenyl)isophthalate
  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：

  (E)-diethyl 5-((3-(1,3-dioxoisoindolin-2-yl)phenyl)diazenyl)isophthalate 在 一水合肼 作用下， 以 甲醇 为溶剂， 反应 5.5h， 以89%的产率得到(E)-diethyl 5-((3-aminophenyl)diazenyl)isophthalate
  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

文献信息

• 偶氮芳基脲类衍生物及其制备方法和应用
  申请人：华东理工大学

  公开号：CN111217722A

  公开（公告）日：2020-06-02

  本发明涉及一种偶氮芳基脲衍生物及其制备与应用。具体地，本发明公开了具有式(I)化合物或其光学异构体、顺反异构体或药学上可接受的盐，及其制备方法，通式中各取代基的定义如说明书和权利要求书所述。本发明还公开了包含上述化合物的组合物及其用途。本发明化合物对HepG2肝癌细胞、MGC803胃癌细胞、HCT116结肠癌等具有优异的抗癌活性。