1'-(diphenylphosphinomethyl)-2,5-dicyclohexyl-1-phosphaferrocene | 803740-05-8

• 英文名称: 1'-(diphenylphosphinomethyl)-2,5-dicyclohexyl-1-phosphaferrocene
• CAS: 803740-05-8
• 化学式: C₃₄H₄₀FeP₂
• 分子量: 566.486
• InChiKey: VDKZXCQKBGXCMJ-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：

  dichloro(cycloocta-1,5-diene)palladium (II) 、 1'-(diphenylphosphinomethyl)-2,5-dicyclohexyl-1-phosphaferrocene 以 二氯甲烷 为溶剂， 以99%的产率得到dichloro[1'-(diphenylphosphinomethyl)-2,5-dicyclohexyl-1-phosphaferrocene]palladium(II)
  参考文献：
  名称：

  Coordination behavior of phosphino-phosphaferrocenes: monodentate versus bidentate coordination to divalent palladium

  摘要：

  Two novel phosphino-phosphaferrocenes [eta(5)-C5H4(CH2)(n)PPh2]Fe(eta(5)-PC4H2-2,5-cy(2)) (PP1: n = 1; PP2: n = 2) have been designed and prepared in order to clarify weak chelate effect in the previously reported (eta(5)-C5H4CH2PPh2)Fe[eta(5)-PC4H2-2,5-((-)-menthyl)(2)] (1). P-31 NMR studies of reactions of PP1 with PdCl2(cod) (6) revealed that PP1 showed stronger tendency to coordinate to the Pd-II center in bidentate fashion compared to 1. On the other hand, chelate effect in PP2 was negligibly weak and a reaction of PP2 with 6 in a PP2/6 = 2/1 molar ratio gave a complex PdCl2(PP2)(2) (10) cleanly in which PP2 coordinated to the palladium center at the PPh2 moiety as a monodentate ligand. X-ray crystal structure studies of chelate complexes PdCl(2()PP1) (7) and PdCl2(PP2) (9) showed that 9 had deviations from an idealized geometry in the square planar complex which could be attributed to a larger chelate ring of PP2, while PP1 in 7 constructed nearly ideal geometry for the square planar complex.From comparison of the coordination behavior between 1, PP1, and PP2, it is concluded that steric bulk of (-)-menthyl groups in I is the main factor of the weak chelate coordination of 1. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.05.019
• 作为产物：
  描述：

  (η6-mesitylene) [η5-(diphenylphosphinomethyl)cyclopentadienyl]iron(II) hexafluorophosphate 、 2,5-dicyclohexyl-1-phenylphosphole 在 Li 作用下， 以 1,4-二氧六环 为溶剂， 以10%的产率得到1'-(diphenylphosphinomethyl)-2,5-dicyclohexyl-1-phosphaferrocene
  参考文献：
  名称：

  Coordination behavior of phosphino-phosphaferrocenes: monodentate versus bidentate coordination to divalent palladium

  摘要：

  Two novel phosphino-phosphaferrocenes [eta(5)-C5H4(CH2)(n)PPh2]Fe(eta(5)-PC4H2-2,5-cy(2)) (PP1: n = 1; PP2: n = 2) have been designed and prepared in order to clarify weak chelate effect in the previously reported (eta(5)-C5H4CH2PPh2)Fe[eta(5)-PC4H2-2,5-((-)-menthyl)(2)] (1). P-31 NMR studies of reactions of PP1 with PdCl2(cod) (6) revealed that PP1 showed stronger tendency to coordinate to the Pd-II center in bidentate fashion compared to 1. On the other hand, chelate effect in PP2 was negligibly weak and a reaction of PP2 with 6 in a PP2/6 = 2/1 molar ratio gave a complex PdCl2(PP2)(2) (10) cleanly in which PP2 coordinated to the palladium center at the PPh2 moiety as a monodentate ligand. X-ray crystal structure studies of chelate complexes PdCl(2()PP1) (7) and PdCl2(PP2) (9) showed that 9 had deviations from an idealized geometry in the square planar complex which could be attributed to a larger chelate ring of PP2, while PP1 in 7 constructed nearly ideal geometry for the square planar complex.From comparison of the coordination behavior between 1, PP1, and PP2, it is concluded that steric bulk of (-)-menthyl groups in I is the main factor of the weak chelate coordination of 1. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.05.019