(WI2(CO)(NCi-Pr)(η(2)-MeC2Ph)2) | 351432-94-5

• 英文名称: (WI2(CO)(NCi-Pr)(η(2)-MeC2Ph)2)
• CAS: 351432-94-5；352004-51-4
• 化学式: C₂₃H₂₃I₂NOW
• 分子量: 767.101
• InChiKey: IOVUNFMUCWGPOF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  异丁腈 、 {tungsten(diiodo)(carbonyl)(acetonitrile)(η2-(1-phenyl-1-propyne))2} 以 二氯甲烷 为溶剂， 以74%的产率得到(WI2(CO)(NCi-Pr)(η(2)-MeC2Ph)2)
  参考文献：
  名称：

  Bis(1-phenyl-1-propyne) comple×es of tungsten(II): crystal structures of [WI₂(CO)(NCR)(η²-MeC₂Ph)₂] (R = Me, Et, or Ph)

  摘要：

  Reaction of [WI2(CO)(3)(NCMe)(2)] with two equivalents of 1-phenyl-1-propyne (MeC2Ph) in CH2Cl2, and in the absence of light, gave the bis(1-phenyl-1-propyne) complex [WI2(CO)(NCMe)(eta (2)-MeC2Ph)(2)] (1) in 77% yield. Treatment of equimolar quantities of 1 and NCR (R = Et, i-Pr, t-Bu, Ph) in CH2Cl2 afforded the nitrile-exchanged products, [WI2(CO)(NCR)(eta (2)-MeC2Ph)(2)] (2-5) (R = Et (2), i-Pr (3), t-Bu (4), Ph (5)). Complexes 1, 2, and 5 were structurally characterized by X-ray crystallography. All three structures have the same pseudo-octahedral geometry, with the equatorial sites being occupied by cis and parallel alkyne groups, which are trans to the cis-iodo groups. The trans carbon monoxide and acetonitrile ligands occupy the axial sites. In structures 1 and 2, the methyl and phenyl substituents of the 1-phenyl-1-propyne ligands are cis to each other, whereas for the bulkier NCPh complex (5), the methyl and phenyl groups are trans to one another. This is the first time that this arrangement has been observed in the solid state in bis(alkyne) complexes of this type.

  DOI：

  10.1139/cjc-79-3-263