di-μ-(2-tert-butyl-5-methyl-1,3-benzazaphospholide-P)bis[(η5-cyclopentadienyl)nickel] | 524924-06-9

• 英文名称: di-μ-(2-tert-butyl-5-methyl-1,3-benzazaphospholide-P)bis[(η5-cyclopentadienyl)nickel]
• CAS: 524924-06-9；524713-81-3
• 化学式: C₃₄H₄₀N₂Ni₂P₂
• 分子量: 656.033
• InChiKey: KIRZRJYWNYGHHG-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

• 作为反应物：
  描述：

  di-μ-(2-tert-butyl-5-methyl-1,3-benzazaphospholide-P)bis[(η5-cyclopentadienyl)nickel] 、 苯 以 四氢呋喃 、 苯 为溶剂， 生成 trans-di-μ-(2-tert-butyl-5-methyl-1,3-benzazaphospholide-P)bis[(η5-cyclopentadienyl)nickel] * 2(benzene)
  参考文献：
  名称：

  摘要：

  1H-1,3-Benzazaphospholes react with M(CO)(5)(THF) (M = Cr, Mo, W) to give thermally and relatively air stable eta(1)-(1H-1,3-Benzazaphosphole-P)M(CO)(5) complexes. The H-1- and C-13-NMR-data are in accordance with the preservation of the phosphaaromatic pi-system of the ligand. The strong upfield P-31 coordination shift, particularly of the Mo and W complexes, forms a contrast to the downfield-shifts of phosphine-M(CO)(5) complexes and classifies benzazaphospholes as weak donor but efficient acceptor ligands. Nickelocene reacts as organometallic species with metalation of the NH-function. The resulting ambident 1,3-benzazaphospholide anions prefer a mu(2)-coordination of the eta(5)-CpNi-fragment at phosphorus to coordination at nitrogen or a eta(3)-heteroallyl-eta(5)-CpNi-semisandwich structure. This is shown by characteristic NMR data and the crystal structure analysis of a eta(5)-CpNi-benzazaphospholide. The latter is a P-bridging dimer with a planar Ni2P2 ring and trans-configuration of the two planar heterocyclic phosphido ligands arranged perpendicular to the four-membered ring.

  DOI：

  10.1002/1521-3749(200213)628:13<2869::aid-zaac2869>3.0.co;2-3
• 作为产物：
  描述：

  2-(tert-butyl)-5-methyl-1H-1,3-benzazaphosphole 、 nickelocene 以 邻二甲苯 为溶剂， 以88%的产率得到di-μ-(2-tert-butyl-5-methyl-1,3-benzazaphospholide-P)bis[(η5-cyclopentadienyl)nickel]
  参考文献：
  名称：

  摘要：

  1H-1,3-Benzazaphospholes react with M(CO)(5)(THF) (M = Cr, Mo, W) to give thermally and relatively air stable eta(1)-(1H-1,3-Benzazaphosphole-P)M(CO)(5) complexes. The H-1- and C-13-NMR-data are in accordance with the preservation of the phosphaaromatic pi-system of the ligand. The strong upfield P-31 coordination shift, particularly of the Mo and W complexes, forms a contrast to the downfield-shifts of phosphine-M(CO)(5) complexes and classifies benzazaphospholes as weak donor but efficient acceptor ligands. Nickelocene reacts as organometallic species with metalation of the NH-function. The resulting ambident 1,3-benzazaphospholide anions prefer a mu(2)-coordination of the eta(5)-CpNi-fragment at phosphorus to coordination at nitrogen or a eta(3)-heteroallyl-eta(5)-CpNi-semisandwich structure. This is shown by characteristic NMR data and the crystal structure analysis of a eta(5)-CpNi-benzazaphospholide. The latter is a P-bridging dimer with a planar Ni2P2 ring and trans-configuration of the two planar heterocyclic phosphido ligands arranged perpendicular to the four-membered ring.

  DOI：

  10.1002/1521-3749(200213)628:13<2869::aid-zaac2869>3.0.co;2-3