| 138260-05-6

• CAS: 138260-05-6
• 化学式: C₄₁H₄₄P₂Zr
• 分子量: 689.972
• InChiKey: FUAGWDKHUAKWRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  (cyclopentadienyl)(pentamethylcyclopentadienyl)zirconium dichloride 、 ((diphenylphosphino)methyl)lithium N,N,N',N'-tetramethyl-1,2-diaminoethane 以 甲苯 为溶剂， 以100%的产率得到
  参考文献：
  名称：

  钛和锆的（二苯基膦基）甲基配合物：合成与表征。CpCp * Ti（CH2PPh2）2的分子结构（Cp = C5H5; Cp * = C5Me5）

  摘要：

  The reaction of [C5(CH3)5](C5H5)MCl2 (M = Ti, Zr) with 2 equiv of LiCH2PPh2.TMEDA offers a convenient method for the preparation of the corresponding dialkyl derivatives [C5(CH3)5](C5H5)M(CH2PPh2)2 where M = Ti and Zr in 95-100% yield. However, when this reaction is carried out with 1 equiv of LiCH2PPh2.TMEDA in the same conditions, the chloro alkyl complex of titanium [C5(CH3)5](C5H5)TiCl(CH2PPh2) is formed, whereas a mixture of the starting material and the dialkyl derivative is obtained for zirconium. These new complexes have been characterized by H-1, C-13, and P-31{H-1} NMR measurements and elemental analysis. The H-1 NMR spectra show a clear diastereotopic behavior for the methylene protons of the CH2 groups. The molecular structure of [C5(CH3)5](C5H5)Ti(CH2PPh2)2 as determined by X-ray diffraction methods is reported. The complex crystallizes in the space group P2(1)/c (No. 14), a = 17.323 (2) angstrom, b = 12.549 (1) angstrom, c = 16.497 (2) angstrom, beta = 103.71 (2)-degrees, Z = 4. The geometry around the Ti atom is normal. A weak agostic interaction Ti...H(4) can be proposed to be present in the structure of the solid state of this compound.

  DOI：

  10.1021/om00038a041