| 306996-01-0

• CAS: 306996-01-0
• 化学式: C₂₉H₄₂OSZr
• 分子量: 529.942
• InChiKey: VQTFFSMJCIFGNO-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：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  、 甲基锂 以 甲苯 为溶剂， 以44%的产率得到
  参考文献：
  名称：

  Synthesis and characterisation of Group 4 metallocene alkoxide complexes. X-ray crystal structure of Cp*2ZrCl(OCH2CH2SPh)

  摘要：

  Halo-alkoxide zirconocene complexes (eta(5)-C5Me5)(2)ZrCl(OCH2CH2SPh) (1) and (eta(5)-C5Me5)(2)ZrCl(OC6H4SH) (2) have been prepared by reaction of the corresponding zirconocene dichloride with HOCH2CH2SPh or HOC6H4SH, respectively, in the presence of NEt3. The molecular structure of 1 has been determined by X-ray diffraction studies. Alkyl- and aryl-containing species (eta(3)-C5Me5)(2)ZrMe(OCH2CH2SPh) (3) and (eta(5)-C5Me5)(2)ZrPh(OCH2CH2SPh) (4) were synthesised by reaction of the corresponding dialkyl or diaryl species with HOCH2CH2SPh, or by reaction of complex I with LiMe or LiPh, respectively. Finally, the dialkoxide complexes L2M(OCH2CH2SR)(2) [L = eta(5)-C5H5, M = Ti, R = Ph (5); L = eta(5)-C5Me5, M = Ti, R = Ph (6); L = eta(5)-C5Me5, M = Ti, R = Me (7)] were prepared by reaction of the appropriate dichloride and alcohol in the presence of NEt3, and (eta(5)-C5H5)(2)Zr(OCH2CH2SMe)(2) (8) was synthesised by reacting (eta(5)-C5H5)(2)ZrMe2 with two equivalents of HOCH2CH2SMe. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00336-3