(2-P,P-dimethylphosphanylethyl)-tetramethylcyclopentadiene

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: (2-P,P-dimethylphosphanylethyl)-tetramethylcyclopentadiene
• 英文别名: Phosphine, dimethyl[2-(2,3,4,5-tetramethyl-1,4-cyclopentadien-1-yl)ethyl]-；dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethyl]phosphane
• 化学式: C₁₃H₂₃P
• 分子量: 210.299
• InChiKey: HAOLMZANBHPVDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  sodium (2-P,P-dimethylphosphanylethyl)tetramethylcyclopentadienide 在 甲醇 作用下， 生成 (2-P,P-dimethylphosphanylethyl)-tetramethylcyclopentadiene 、 (2-P,P-dimethylphosphanylethyl)-tetramethylcyclopentadiene 、 (2-P,P-dimethylphosphanylethyl)-tetramethylcyclopentadiene
  参考文献：
  名称：

  Mono- and bis-[2-(P,P-dimethylphosphanyl)ethyl]tetramethylcyclopentadienyl zirconium(IV) complexes: Synthesis and structural studies in crystalline state and in solutions

  摘要：

  Synthetic routines for a new ligand C5Me4CH2CH2PMe2 (2b) in forms of its Li- (2b-Li), Na- (2b-Na) salts and in the CH-form (2b-H), as well as for silanes Me3Si-C5H4CH2CH2PMe2 (3a) and Me3Si-C5Me4CH2CH2PMe2 (3b) have been developed. On the basis of it, new half-sandwich [eta(5) :eta(1)-kappa P-C5H4CH2CH2PMe2]ZrCl3 (4a), [eta(5):eta(1)-kappa P-C5Me4CH2CH2PMe2]ZrCl3 (4b) and sandwich [eta(5)-C5Me4CH2CH2PMe2](2)ZrCl2 (5), [eta(5)-C5Me4CH2CH2PMe2][eta(5)-C5Me5]ZrCl3 (6) complexes of Zr(IV) have been prepared and characterized. Along with them, the first example of X-ray structurally characterized dinuclear Zr(IV) complex incorporating both sandwich (6) and half-sandwich (4b) moieties linked one to another by means of Zr P coordination bond 7, has been described. Formation of an analogously organized trinuclear complex 8, built from one sandwich fragment of 5 and two half-sandwich fragments of 4b was proved by NMR spectroscopy methods. Molecular structures of half-sandwich complexes in their solvent-free dimeric forms (4a and 4b) and as 1: 1 adducts with THF (4a-THF and 4b-THF) along with those of dinuclear complex 7 have been established by X-ray diffraction analyses. The dynamic behavior for di- and trinuclear complexes 7 and 8, due to the intermolecular dissociation-coordination of the Me2P-groups in THF-d(8) solutions has been studied by variable-temperature NMR spectroscopy. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.06.008

文献信息

• Mono- and bis-[2-(P,P-dimethylphosphanyl)ethyl]tetramethylcyclopentadienyl zirconium(IV) complexes: Synthesis and structural studies in crystalline state and in solutions
  作者：Dmitrii P. Krut’ko、Maxim V. Borzov、Edward N. Veksler、Andrei V. Churakov、Lyudmila G. Kuz’mina

  DOI：10.1016/j.jorganchem.2005.06.008

  日期：2005.9

  Synthetic routines for a new ligand C5Me4CH2CH2PMe2 (2b) in forms of its Li- (2b-Li), Na- (2b-Na) salts and in the CH-form (2b-H), as well as for silanes Me3Si-C5H4CH2CH2PMe2 (3a) and Me3Si-C5Me4CH2CH2PMe2 (3b) have been developed. On the basis of it, new half-sandwich [eta(5) :eta(1)-kappa P-C5H4CH2CH2PMe2]ZrCl3 (4a), [eta(5):eta(1)-kappa P-C5Me4CH2CH2PMe2]ZrCl3 (4b) and sandwich [eta(5)-C5Me4CH2CH2PMe2](2)ZrCl2 (5), [eta(5)-C5Me4CH2CH2PMe2][eta(5)-C5Me5]ZrCl3 (6) complexes of Zr(IV) have been prepared and characterized. Along with them, the first example of X-ray structurally characterized dinuclear Zr(IV) complex incorporating both sandwich (6) and half-sandwich (4b) moieties linked one to another by means of Zr P coordination bond 7, has been described. Formation of an analogously organized trinuclear complex 8, built from one sandwich fragment of 5 and two half-sandwich fragments of 4b was proved by NMR spectroscopy methods. Molecular structures of half-sandwich complexes in their solvent-free dimeric forms (4a and 4b) and as 1: 1 adducts with THF (4a-THF and 4b-THF) along with those of dinuclear complex 7 have been established by X-ray diffraction analyses. The dynamic behavior for di- and trinuclear complexes 7 and 8, due to the intermolecular dissociation-coordination of the Me2P-groups in THF-d(8) solutions has been studied by variable-temperature NMR spectroscopy. (c) 2005 Elsevier B.V. All rights reserved.