| 1392967-90-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• CAS: 1392967-90-6
• 化学式: C₈H₇F₂N₃OS
• 分子量: 231.226
• InChiKey: RLWOVCYRWDJPCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.84
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.64
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  [Cu2(OAc)4(H2O)2] 、 以 甲醇 、 乙醇 为溶剂， 以33%的产率得到
  参考文献：
  名称：

  Thiosemicarbazone copper complexes as competent catalysts for olefin cyclopropanations

  摘要：

  New copper complexes of several thiosemicarbazones have been prepared and characterized. All complexes have been prepared by employing Cu (II) acetate hydrate, but analytical and spectroscopical data for the isolated complexes revealed that in most cases a reduction to copper (I) occurred. Cyclopropanation reactions of several olefins by ethyldiazoacetate (EDA) in the presence of catalytic amounts of the complexes were examined. The reported results showed that all complexes are competent catalysts for the cyclopropanation reaction of unactivated olefins. Cyclopropanes were obtained in high yields (up to 97%, TON up to 18,400) with moderate to excellent diastereoselectivities (up to >99%). (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.03.018
• 作为产物：
  描述：

  氨基硫脲 、 3,5-二氟水杨醛 以 乙醇 为溶剂， 反应 2.5h， 以31%的产率得到
  参考文献：
  名称：

  Thiosemicarbazone copper complexes as competent catalysts for olefin cyclopropanations

  摘要：

  New copper complexes of several thiosemicarbazones have been prepared and characterized. All complexes have been prepared by employing Cu (II) acetate hydrate, but analytical and spectroscopical data for the isolated complexes revealed that in most cases a reduction to copper (I) occurred. Cyclopropanation reactions of several olefins by ethyldiazoacetate (EDA) in the presence of catalytic amounts of the complexes were examined. The reported results showed that all complexes are competent catalysts for the cyclopropanation reaction of unactivated olefins. Cyclopropanes were obtained in high yields (up to 97%, TON up to 18,400) with moderate to excellent diastereoselectivities (up to >99%). (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.03.018