| 169617-76-9

• CAS: 169617-76-9
• 化学式: C₂₃H₃₁BO₄Zr
• 分子量: 473.532
• InChiKey: JSLSSGVAJIDCKR-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：

  zirconocene methyl chloride 、 硼酸三乙酯 、 2-溴苯甲醚 在 tert-butyllithium 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 生成 、
  参考文献：
  名称：

  Synthesis and Structure of Zirconium-Group 13 Heterobimetallic Compounds

  摘要：

  The reaction of main-group (B, Al, and Ga) alkoxides with, zirconocene complexes of benzynes was used to prepare novel zirconium-group 13 heterobimetallic compounds [R(2)E-(mu-OR')(mu-1,2-aryl)Zr(eta(5)-C5H5)(2)][E = B, R = Et, R' = Me, aryl = phenyl (1); E = B, R = Me, R'= Et, aryl = phenyl (2); E = B, R = Et, R' = Me, aryl = 3-methoxyphenyl (3); E = Al, R = Et, R'= Et, aryl = phenyl (5); E = Ga, R = Me, R'= Me, aryl = 3-methoxyphenyl (6)] and [(EtO)(2)B(mu-1,2-naphthyl)Zr(eta(5)-C5H5)(2)(OEt)] (4). Complexes 3 and 4 have been characterized by X-ray crystallography. Compound 3 contains a dative bond from an oxygen lone pair of the methoxy ligand on the zirconium to an acceptor p-orbital on the boron atom (B-11 NMR; delta 8.26 ppm). In contrast, the weakly Lewis acidic boron center in 4 (B-11 NMR; delta 29.7 ppm) does not show a bonding interaction between the alkoxy ligand on the zirconocene fragment and the boron center.

  DOI：

  10.1021/om00010a048