1,2-bis(3,5-dimethylpyrazol-1-yl)ethene | 1386390-56-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,2-bis(3,5-dimethylpyrazol-1-yl)ethene
• 英文别名: 1-[(E)-2-(3,5-dimethylpyrazol-1-yl)ethenyl]-3,5-dimethylpyrazole
• CAS: 1386390-56-2
• 化学式: C₁₂H₁₆N₄
• 分子量: 216.286
• InChiKey: FJBURBLCFHJXRJ-AATRIKPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  35.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  二硫化碳 、 十二羰基三铁 、 溴甲苯 、 1-[(3,5-二甲基吡唑-1-基)甲基]-3,5-二甲基吡唑 在 n-BuLi 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以21%的产率得到
  参考文献：
  名称：

  Reactivity of Bis(3,5-dimethylpyrazol-1-yl)methyllithium with S or CS₂, Followed by Reaction with Fe₃(CO)₁₂ and Ar₃SnCl or RX: Unexpected Formation of (3,5-Dimethylpyrazol-1-yl)dithioformate Derivatives

  摘要：

  Reaction of bis(3,5-dimethylpyrazol-1-yl)-methyllithium with sulfur at -70 degrees C, followed by reaction with Fe-3(CO)(12) and triaryltin chlorides, yielded trinuclear butterfly cluster complexes. When the triaryltin chlorides were replaced by organic halides, unexpected (3,5-dimethylpyrazol-1-yl)dithioformate derivatives were obtained. In addition, treatment of bis(3,5-dimethylpyrazol-1-yl)methane with n-BuLi at 0 degrees C resulted in partial decomposition to yield a carbene intermediate and a 3,5-dimethylpyrazolate anion. The carbene intermediate readily dimerized, and reaction of the anion with carbon disulfide, and subsequently with Fe-3(CO)(12) and organic halides, also gave the dithioformate derivatives.

  DOI：

  10.1021/om300448a