[(η5-C5Ph5)Pd(P(C7H7)2(η2-C7H7))]BF4 | 462599-45-7

• 英文名称: [(η5-C5Ph5)Pd(P(C7H7)2(η2-C7H7))]BF4
• CAS: 462599-45-7
• 化学式: BF₄*C₅₆H₄₆PPd
• 分子量: 943.18
• InChiKey: GVIIBEMOUIFYPH-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：

  tris(1-cyclohepta-2,4,6-trienyl)phosphane 、 [(η5-C5Ph5)Pd(η4-cycloocta-1,5-diene)]BF4 以 二氯甲烷 为溶剂， 以74%的产率得到[(η5-C5Ph5)Pd(P(C7H7)2(η2-C7H7))]BF4
  参考文献：
  名称：

  Cationic half-sandwich complexes, [CpM{P(C7H7)2(η2-C7H7)}]BF4 (M=Ni, Pd, Pt), containing a bidentate tri(1-cyclohepta-2,4,6-trienyl)phosphane ligand

  摘要：

  Displacement of eta(4)-cycloocta-1,5-diene (cod) from [CpM(cod)]BF4 by the olefinic phosphane P(C7H7)(3) (1) leads to complexes [CPM{P(C7H7)(2)(eta(2)-C7H7)}]BF4 (M = Ni (4), Pd (5)) in which one of the cyclohepta-2,4,6-trienyl substituents is symmetrically eta(2)-coordinated to the metal in addition to phosphorus. The platinum analogue (M = Pt (6)) was obtained from [PtCl2(cod)] by consecutive reactions with 1, TICp and AgBF4. The homologous series 4-6 was studied by multinuclear (H-1, C-13, P-31 and Pt-195) NMR spectroscopy, and related tetrafluoroborates such as the pentaphenyl-cyclopentadienyl analogue of 5 and the tert-butylisocyanide adduct of 4, [CpNi((CNBu)-Bu-t){P(C7H7)(3)}]BF4 (11), were considered for comparison. An X-ray crystallographic structure determination of 4 has been carried out. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)00747-8