[3-(2-pyridylmethyl)(indenyl)]tris(dimethylamido)zirconium(IV) | 201553-14-2

• 英文名称: [3-(2-pyridylmethyl)(indenyl)]tris(dimethylamido)zirconium(IV)
• CAS: 201553-14-2
• 化学式: C₂₁H₃₀N₄Zr
• 分子量: 429.72
• InChiKey: LNUCNKZFCPEEIE-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：

  2-(1-indenylmethyl)pyridine 、 tetrakis(dimethylamido)zirconium 以 正戊烷 为溶剂， 以53%的产率得到[3-(2-pyridylmethyl)(indenyl)]tris(dimethylamido)zirconium(IV)
  参考文献：
  名称：

  New chelating pyridyl-indenyl and quinolyl-indenyl ligands leading to C1 symmetrical complexes of zirconium via amine elimination. X-ray structure of [3-(2-pyridylmethyl)(indenyl)]tris(dimethylamido)Zr(IV)

  摘要：

  Two new chelating (1-) ligands, based on an indenyl group and either a pendant pyridylmethyl arm or a pendant quinolylmethyl arm were synthesized. The two Ligands react cleanly with tetrakis(dimethylamido)zirconium by amine elimination reactions leading to complexes of C-1 symmetry. The crystal structure of the pyridyl-indenyl zirconium complex 3 was determined. Compound C21H30N4Zr (3) crystallizes in the orthorhombic space group Pbca with a = 9.588(1), b = 14.858(12), c = 29.932(7) Angstrom, V = 4264.1 (Angstrom(3)), Z = 8. The structure refinement converged to R1 = 0.049 for 2363 F-0>4 sigma(F-0) and wR2 = 0.167 for all 3197 unique data, S = 1.04. The structure shows that the indenyl is bound in a eta(5) fashion blocking the top of the zirconium atom, and the pyridine is coordinated in an exceptionally long 2.536(5) Angstrom N-Zr bond, blocking the back of the zirconium atom. (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00385-9