[((i-Pr2PCH2CH2)2CH)Ni(OH)] | 1137665-82-7

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物
• 英文名称: [((i-Pr2PCH2CH2)2CH)Ni(OH)]
• 英文别名: [(PC(sp3)P(i-Pr))Ni(OH)]
• CAS: 1137665-82-7
• 化学式: C₁₇H₃₈NiOP₂
• 分子量: 379.126
• InChiKey: PTUAKERKEFQCKF-UHFFFAOYSA-M

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：

  ((i-Pr2PCH2CH2)2CH)NiPh 在 KN(SiMe₃)2 作用下， 以 乙醚 、 氘代苯 、 甲苯 、 苯 为溶剂， 生成 [((i-Pr2PCH2CH2)2CH)Ni(OH)]
  参考文献：
  名称：

  New Derivatives of PCP-Type Pincer Complexes of Nickel

  摘要：

  The pincer-type complexes (PCsp3Pi-Pr)NiR (PCsp3Pi-Pr = (i-Pr2PCH2CH2)(2)CH) react with HBF4 (R = C equivalent to CMe, Ph, Me) or AgBF4 (R = Br) to give (PCsp3 Pi-Pr)Ni(BF4), 1, which was found to involve fluxional Ni-F-BF3 interactions. Competition experiments revealed that the relative ease of protonation of the Ni-hydrocarbyl moiety follows the order Ni-Me > Ni-C equivalent to CMe > Ni-Ph. Complex 1 reacts with water to give [(PCsp3Pi-Pr)Ni(H2O)][BF4], 2, that in turn undergoes H2O exchange with CH3CN, i-PrNH2, and CO to give the corresponding cationic adducts 3, 4, and 5; alternatively, 3-5 can also be obtained directly from the reaction of 1 with CH3CN, i-PrNH2, and CO, respectively. Deprotonation of complex 2 gives the neutral hydroxo complex (PCsp3Pi-Pr)Ni(OH), 6. All complexes have been characterized by NMR spectroscopy and, in the case of 2-6, by X-ray crystallography.

  DOI：

  10.1021/ic801641u