[6,7,8-(CpNi)3-2-CB5H6] | 858942-47-9

• 英文名称: [6,7,8-(CpNi)3-2-CB5H6]
• CAS: 858942-47-9
• 化学式: C₁₆H₂₁B₅Ni₃
• 分子量: 443.468
• InChiKey: PBFMNGAHCSFHPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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

• 作为反应物：
  描述：

  [6,7,8-(CpNi)3-2-CB5H6] 以 甲苯 为溶剂， 生成 6,7,8-(η-C5H5)3-6,7,8,1-Ni3CB5H6
  参考文献：
  名称：

  Metallacarborane chemistry of the hypho-[6,7-C2B6H13]− anion: Reaction with nickelocene and the formation of three multimetallic nickel–boron clusters

  摘要：

  The reaction of the hypho-[6,7-C2B6H13](-) anion (1) with nickelocene and an excess of 'proton sponge' (1,8-bis-(dimethylaminonaphthalene)) in boiling acetonitrile leads to the formation of a pair of isomeric trimetallic nickel-boron clusters, [6,7,8-(CpNi)(3)-1-CB5H6] (2) and [6,7,8-(CpNi)(3)-2-CB5H6] (3), in a combined yield of 55%. Isomer (2) had been previously prepared from nido-2-CB5H9 but in much lower yield. Isomer (3) is without precedent and has been characterized using multi-nuclear NMR spectroscopy and mass spectrometry. Isomer (3) undergoes conversion to (2) via heating in boiling toluene. In addition to this isomeric pair, an interesting nido dimetallacarborane of constitution [6,6'-(CpNi)(2)-7,7'-C2B6H8] (4) has been isolated from the same reaction in 5% yield and characterized by single-crystal X-ray diffraction analysis. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.01.051
• 作为产物：
  描述：

  [hypho-6,7-C2B6H13][NMe4] 、 nickelocene 在 1,8-bis-(dimethylamino-naphthalene) 作用下， 以 乙腈 为溶剂， 以30%的产率得到6,7,8-(η-C5H5)3-6,7,8,1-Ni3CB5H6
  参考文献：
  名称：

  Metallacarborane chemistry of the hypho-[6,7-C2B6H13]− anion: Reaction with nickelocene and the formation of three multimetallic nickel–boron clusters

  摘要：

  The reaction of the hypho-[6,7-C2B6H13](-) anion (1) with nickelocene and an excess of 'proton sponge' (1,8-bis-(dimethylaminonaphthalene)) in boiling acetonitrile leads to the formation of a pair of isomeric trimetallic nickel-boron clusters, [6,7,8-(CpNi)(3)-1-CB5H6] (2) and [6,7,8-(CpNi)(3)-2-CB5H6] (3), in a combined yield of 55%. Isomer (2) had been previously prepared from nido-2-CB5H9 but in much lower yield. Isomer (3) is without precedent and has been characterized using multi-nuclear NMR spectroscopy and mass spectrometry. Isomer (3) undergoes conversion to (2) via heating in boiling toluene. In addition to this isomeric pair, an interesting nido dimetallacarborane of constitution [6,6'-(CpNi)(2)-7,7'-C2B6H8] (4) has been isolated from the same reaction in 5% yield and characterized by single-crystal X-ray diffraction analysis. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.01.051