| 135105-07-6

• CAS: 135105-07-6
• 化学式: C₁₈H₂₆N₃OS₂W*C₂₄H₂₀B
• 分子量: 867.64
• InChiKey: ZQCPVBJSGQAQNG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  4-甲基咪唑 、 {cis-W(II)(CO)(NCMe)(S2CNC4H8)(η2-MeC2Me)2}{BPh4} 在 2-丁炔 作用下， 以 二氯甲烷 为溶剂， 以84%的产率得到
  参考文献：
  名称：

  The synthesis and spectral properties of the new bis(but-2-yne) and mono(but-2-yne) complexes [w(co)l(s2CNC4H8)(η2-MeC2Me)2][BPh4] and [W(CO)L2(S2CNC4H8)(η2-MeC2Me)][BPh4] (where = imidazole, 2-methylimidazole and 4-methylimidazole)

  摘要：

  Reactions of the complex [W(CO)(NCMe)(S2CNC4H8)(eta-2-MeC2Me)2][BPh4] with one equivalent of L (L = imidazole, 2-methylimidazole or 4-methylimidazole) in the presence of excess but-2-yne at room temperature in CH2Cl2 affords good yields of the bis(but-2-yne) complexes [W(CO)L(S2CNC4H8)(eta-2-MeC2Me)2][BPh4] (1-3). Whereas, reaction of [W(CO)(NCMe)(S2CNC4H8)(eta-2-MeC2Me)2][BPh4] with two equivalents of L (L = imidazole, 2-methylimidazole or 4-methylimidazole) affords high yields of the new mono(but-2-yne) complexes [W(CO)L2(S2CNC4H8)(eta-2-MeC2Me)][BPh4] (4-6). C-13 NMR spectroscopy indicates that the but-2-yne ligands in 1 are donating a total of six electrons to the tungsten, whereas in 4-6 the but-2-yne is donating four electrons to the tungsten. Variable-temperature H-1 NMR studies have been carried out on 4-6 in order to calculate the barrier to but-2-yne rotation.

  DOI：

  10.1016/s0277-5387(00)83758-4