bis(3,5-diisobutylpyrazo-1-yl)methane | 662149-53-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: bis(3,5-diisobutylpyrazo-1-yl)methane
• 英文别名: CH2(3,5-isoBu2Pz)2；1H-Pyrazole, 1,1'-methylenebis[3,5-bis(2-methylpropyl)-；1-[[3,5-bis(2-methylpropyl)pyrazol-1-yl]methyl]-3,5-bis(2-methylpropyl)pyrazole
• CAS: 662149-53-3
• 化学式: C₂₃H₄₀N₄
• 分子量: 372.597
• InChiKey: MYHFGNKRCRWKNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  35.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  六羰基钨 、 bis(3,5-diisobutylpyrazo-1-yl)methane 以 四氢呋喃 为溶剂， 以72%的产率得到[(bis(3,5-diisobutylpyrazo-1-yl)methane)W(CO)4]
  参考文献：
  名称：

  Synthesis and Reactivity of Group 6 Metal Carbonyl Complexes Containing bis(Pyrazol‐1‐yl)methane with Bulky Substituents on the 3‐ and 5‐Positions of Pyrazole Rings

  摘要：

  Two new bis(pyrazol-1-yl)methane ligands, bis(3,5-diisopropylpyrazol-1-yl)-methane and bis(3,5-diisobutylpyrazol-1-yl)methane, were synthesized by the reaction of 3,5-diisopropylpyrazole or 3,5-diisobutylpyrazole with CH2Br2 under phase transfer catalysis. These ligands can react with M(CO)(6) (M=Cr, Mo or W) under UV irradiation at room temperature to yield bis(pyrazo-1-yl)methane tetracarbonylchromium, molybdenum or tungsten complexes. Treatment of the molybdenum or tungsten complexes with SnCl4 gives Mo-Sn or W-Sn heterobimetallic complexes, one of which has been characterized by X-ray analysis. All new compounds have also been characterized by elemental analyses and spectroscopic (H-1 NMR and IR) studies.

  DOI：

  10.1081/sim-120024323