[2-CO-2-PEt3-7-(N(Me)=C(H)Me)-closo-2,1-NiCB10H10] | 869197-92-2

• 英文名称: [2-CO-2-PEt3-7-(N(Me)=C(H)Me)-closo-2,1-NiCB10H10]
• CAS: 869197-92-2
• 化学式: C₁₁H₃₂B₁₀NNiOP
• 分子量: 392.155
• InChiKey: COQZESSRVQHFBE-UHFFFAOYSA-N

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：

  [N(PPh3)2][2-CO-2-PEt3-closo-2,1-NiCB10H11] 、 乙腈 、 三氟甲烷磺酸甲酯 以 二氯甲烷 、 乙腈 为溶剂， 以25%的产率得到[2-CO-2-PEt3-7-(N(Me)=C(H)Me)-closo-2,1-NiCB10H10]
  参考文献：
  名称：

  Synthesis of Nickel−Monocarbollide Complexes by Oxidative Insertion

  摘要：

  Treatment of the 11-vertex carborane anion [closo-2-CB10H11](-) with Ni(O) reagents in tetrahydrofuran (THF) affords(-) via oxidative insertion reactions-12-vertex Ni(II) complexes, isolated as the salts [N(PPh3)(2)][2,2-L-2-closo-2,1-NiCB10H11] (L = CO (1a), CNBut (1b), and CNXyl (1C; Xyl = C6H3Me2-2,6); L-2 = cod (1d; cod = 1,2:5,6-77-cyclo-octa-1,5diene)). One CO ligand in la is readily replaced by donors L' in the presence of Me3NO to give the species [N(pph(3))(2)][2-CO-2-L'-closo-2,1-NiCB10H11] (L' = PEt3 (1e), PPh3 (1f), CNBut (1g), and CNXyl (1h)). The anionic complexes themselves readily react with hydride abstracting reagents in the presence of donor ligands to yield zwitterionic complexes in which boron vertexes bear substituents that are bound through C, N, or 0 atoms. Thus, for example, 1c with H+ and CNXyl gives [2,2,7-(CNXyl)(3)-closo-2,1-NiCB10H10] (2b), while 1f with Me+ in the presence of OEt2 affords [2-CO-2,11-{mu-PPh2(C6H4-o)}-7-OEt2-closo-2,1-NiCB10H9] (4), in which an additional cycloboronation of one phosphine phenyl ring has occurred. In contrast, If with Me+ in the presence of NCMe gives a mixture of the isomers [2-CO-2-PPh3-7-{(X)-N(Me)=C(H)Me}-closo-2,1-NiCB10H10] (X E(5c) and Z(5d)). X-ray diffraction analyses of compounds la, 2b, 4, and 5c confirmed their important structural features.

  DOI：

  10.1021/ic051115c