dichlorozirconium(2+);dimethyl-(pyrrolidin-1-id-2-ylmethoxy)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane | 163279-75-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: dichlorozirconium(2+);dimethyl-(pyrrolidin-1-id-2-ylmethoxy)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• CAS: 163279-75-2
• 化学式: C₁₆H₂₇Cl₂NOSiZr
• 分子量: 439.612
• InChiKey: IGBCLRPKHXXBHU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.98
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  10.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 LiN(SiMe₃)2 作用下， 以 甲苯 为溶剂， 以71.5%的产率得到dichlorozirconium(2+);dimethyl-(pyrrolidin-1-id-2-ylmethoxy)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
  参考文献：
  名称：

  New ligand environments for soluble Zieglernatta olefin polymerization catalyst precursors. X-ray structures of

  摘要：

  Treatment of dimethyl(tetramethylcyclopentadienyl)chloro silane with S-(-)pyrrolidine methanol provided the O-silylated ligand (C(5)Me(4)H)SiMe(2)OCH(2)(C4H7NH), 1, (Cp*SiProH(2)) as 90% pure, thermally unstable oil in 65% yield. Reaction of 1 with Zr(NMe(2))(4) resulted in attachment of 1 to the zirconium center with elimination of HNMe(2), yielding (Cp*SiPro)Zr(NMe(2))(2), 2, as a viscous oil in high yield (95%). Compound 2 was converted to the trichloride derivative (Cp*SiProH)ZeCL(3), 3, in 75% yield by treatment with three equivalents of HCl.HNME(2): compound 3 is produced as a mixture of diastereomers; the major species was characterized by X-ray crystallography, revealing Cp*-O-N coordination mode for the Cp*SiProH ligand. (3: orthorhombic, space group P2(1)2(1)2(1), a = 10.000.(13), b = 12.7597(12), c = 16.2749(15) Angstrom, V = 2076.8(4) Angstrom(3), Z = 4, R = 0.043, Rw = 0.041.) Deprotonation of 3 (diastereomeric mixture) with LiN(SiMe(3))2 produced the dichloride (Cp*SiPro)ZrCl2, 4, in 71% yield. Alkylation of either 3 or 4 resulted in Si-O bond cleavage in the Cp*SiPro ligand and gave a dimeric complex 5 which was characterized by X-ray crystallography. (5: monoclinic, space group P2(1), a = 9.1285(10), b = 20.2197(22). c = 11.0214(14) Angstrom, beta = 90.38(7)degrees, V = 2034.2(4) Angstrom(3), Z = 2, R = 0.040, R(w) = 0.042.) Limited ethylene polymerization activity was observed for 3 and 4 in the presence of MAO co-catalyst.

  DOI：

  10.1016/0277-5387(94)00321-5