1,2-Ph2-4,4-dppe-12-I-4,1,2-closo-NiC2B9H8 | 850355-15-6

• 英文名称: 1,2-Ph2-4,4-dppe-12-I-4,1,2-closo-NiC2B9H8
• CAS: 850355-15-6
• 化学式: C₄₀H₄₂B₉INiP₂
• 分子量: 867.614
• InChiKey: RQFWSTOQDVMGDO-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：

  二氯甲烷 、 1,2-Ph2-4,4-dppe-12-I-4,1,2-closo-NiC2B9H8 以 二氯甲烷 为溶剂， 生成 1,2-Ph2-4,4-dppe-12-I-4,1,2-closo-NiC2B9H8*CH2Cl2
  参考文献：
  名称：

  Towards the mechanism of heteroborane isomerisation: 1,2→1,2 and 1,2→1,7 low-temperature isomerisations from metallations of [5-I-7,8-Ph2-7,8-nido-C2B9H8]2−

  摘要：

  The reaction between [5-1-7.8-Ph-2-7.8-nido-C2B9H8](2-) and NiCl2(dppe) affords 1,2-Ph-2-4,4-dppe-12-I-4,1,2-closo-NiC2B9H8 (1) and 1.8-Ph,-2.2-dppe-10-I-2.1.8-closo-NiC2B9H8 (2). Reaction between the same carborane ligand and cis-PtCl2(PMe2Ph)(2) yields three species, 1.8-Ph-2-2,2-(PMePh)(2)-10-I-2,1,8-closo-PtC2B9H8 (3), 1,8-Ph-2-2,2-(PMe2Ph)(2)-12-I-2,1,8-closo-PtC2B9H8 (4). and 1,8-Ph-2-2.2-(PMe2Ph)(2)-7-I-2,1.8-closo-PtC2B9H8 (5). Compounds 1-5 have been characterised spectroscopically and crystallographically. The 4.1.2-MC2B9 architecture of 1 constitutes a "1,2 -> 1,2" cage C atom isomerisation, and the 2,1,8-MC2B9 architectures of 2-5 a 1.2 -> 1.7 cage C atom isomerisation, relative to the presumed first product of the metallations, 1,2-Ph-2-3,3-L-2-9-I-3,1.2-closo-MC2B9H8 [M = Ni, L-2 = dppe; M = Pt, L-2 = (PMe2Ph)(2)]. The location of the (iodide) labelled boron vertex in the products allows speculation as to the mechanism of these isomerisations and the possible involvement of triangle face rotation is discussed. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.12.003
• 作为产物：
  描述：

  1,2-双(二苯基膦)乙烷氯化镍 、 [HNEt3][5-I-7,8-Ph2-nido-C2B9H9] 在 n-butyllithium 作用下， 以 四氢呋喃 为溶剂， 以10%的产率得到1,2-Ph2-4,4-dppe-12-I-4,1,2-closo-NiC2B9H8
  参考文献：
  名称：

  Towards the mechanism of heteroborane isomerisation: 1,2→1,2 and 1,2→1,7 low-temperature isomerisations from metallations of [5-I-7,8-Ph2-7,8-nido-C2B9H8]2−

  摘要：

  The reaction between [5-1-7.8-Ph-2-7.8-nido-C2B9H8](2-) and NiCl2(dppe) affords 1,2-Ph-2-4,4-dppe-12-I-4,1,2-closo-NiC2B9H8 (1) and 1.8-Ph,-2.2-dppe-10-I-2.1.8-closo-NiC2B9H8 (2). Reaction between the same carborane ligand and cis-PtCl2(PMe2Ph)(2) yields three species, 1.8-Ph-2-2,2-(PMePh)(2)-10-I-2,1,8-closo-PtC2B9H8 (3), 1,8-Ph-2-2,2-(PMe2Ph)(2)-12-I-2,1,8-closo-PtC2B9H8 (4). and 1,8-Ph-2-2.2-(PMe2Ph)(2)-7-I-2,1.8-closo-PtC2B9H8 (5). Compounds 1-5 have been characterised spectroscopically and crystallographically. The 4.1.2-MC2B9 architecture of 1 constitutes a "1,2 -> 1,2" cage C atom isomerisation, and the 2,1,8-MC2B9 architectures of 2-5 a 1.2 -> 1.7 cage C atom isomerisation, relative to the presumed first product of the metallations, 1,2-Ph-2-3,3-L-2-9-I-3,1.2-closo-MC2B9H8 [M = Ni, L-2 = dppe; M = Pt, L-2 = (PMe2Ph)(2)]. The location of the (iodide) labelled boron vertex in the products allows speculation as to the mechanism of these isomerisations and the possible involvement of triangle face rotation is discussed. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.12.003