1,3-bis{[2-(1-methyl-5-chloropyrazol-3-yl)ethyl]selanyl}propan-2-ol | 1443469-76-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 1,3-bis{[2-(1-methyl-5-chloropyrazol-3-yl)ethyl]selanyl}propan-2-ol
• CAS: 1443469-76-8
• 化学式: C₁₅H₂₂Cl₂N₄OSe₂
• 分子量: 503.192
• InChiKey: VIOPOLXSDLOMRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.69
• 重原子数：
  24.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  55.87
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2-hydroxypropane-1,3-diselenol 、 5-chloro-3-ethenyl-1-methyl-1H-pyrazole 以 苯 为溶剂， 反应 8.0h， 以82%的产率得到1,3-bis{[2-(1-methyl-5-chloropyrazol-3-yl)ethyl]selanyl}propan-2-ol
  参考文献：
  名称：

  Synthesis of previously unknown 3,3′-linearly linked sulfur- and selenium-containing bispyrazoles by reactions of 3-alkenyl-5-chloropyrazoles with bischalcogenols

  摘要：

  By reactions of 3-alkenyl-5-chloropyrazoles with appropriate dichalcogenols the fi rst specimens were obtained of previously unknown 3,3'-linearly linked bispyrazoles containing in the alkyl chain of the linker two heteroatoms, sulfur or selenium. 3-Vinyl-5-chloropyrazoles react with 1,3-propanedithiol, 2-hydroxy-1,3-propanedithiol, and 2-hydroxy-1,3-propanediselenol under UV irradiation and heating at 60A degrees C over 8 h affording products of the addition against Markovnikoff rule. The radical addition of 1,3-propanedithiol to 3-isopropenyl-5-chloropyrazole required a longer time, 15 h.

  DOI：

  10.1134/s1070428013050175