| 66349-71-1

• CAS: 66349-71-1
• 化学式: C₁₉H₂₀Cl₂Zr
• 分子量: 410.498
• InChiKey: QGPUXRDCKXOYDT-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  、 dimethylaminomethyllithium 以 四氢呋喃 为溶剂， 以54%的产率得到
  参考文献：
  名称：

  [（二甲氨基）烷基]锆茂配合物的合成及其动力学行为

  摘要：

  PhCH(K)NMe2 and LiCH2NMe2 react with zirconocene or hafnocene chlorides in THF to give satisfactory yields of their (dimethylamino)alkyl derivatives. Cp2Zr(R)CH(Ph)NMe2 (R = Cl, 5; R = Me, 6) was prepared by treating Cp2Zr(R)Cl with PhCH(K)NMe2. Cp(eta-5-C5H4R)M(Cl)CH2N(CH3)2 (M = Zr, X = Cl, R = H, 7; M = Hf, X = Cl, R = H, 8; M = Zr, X = Cl, R = CPh(CH3)2, 11) was prepared by treating the appropriate metallocene dichloride with LiCH2N(CH3)2. Acidic reagents (CF3CO2H, CpMo(CO)3H, [n-Bu3NH][BPh4]) cleaved the methyl ligand from 6 and gave the -O2CCF3 complex (10), the -(mu-OC)Mo(CO)2Cp complex (12), or the solvated cation (13). Complex 7 did not react with excess LiCH2N(CH3)2, LiPh, MeI, CO(g) (1 atm), or Na(Hg), but a low yield of its methyl derivative was obtained by treating it with LiCH3. The inequivalence of the N-methyl groups in the H-1 NMR spectra of complexes 5, 6, and 10-13 at low temperatures showed that the CH(R)NMe2 ligands were bound in an eta-2 fashion. Simulation of the temperature-dependent H-1 NMR spectra of CDCl3 solutions of 11 gave DELTA-H double-ended-dagger and DELTA-S double-ended-dagger values of 17.1 +/- 0.8 kcal/mol and 2.3 +/- 2.7 eu, respectively, for N-methyl exchange. The Zr-N interaction energy in 11 can thus be estimated at 8 kcal/mol.

  DOI：

  10.1021/om00038a006
• 作为产物：
  描述：

  cyclopentadienylzirconium trichloride 、 6,6-二甲基-5-亚甲基-1,3-环戊二烯 、 苯基锂 以 乙醚 、 环己烷 为溶剂， 生成
  参考文献：
  名称：

  Mixed substituted zirconocene dichloride complexes as catalyst precursors for homogeneous ethylene polymerization

  摘要：

  The synthesis and characterization of 15 new, unbridged metallocene dichloride complexes of the type (L)(Ind)ZrCl2, (L = omega-phenylalkyl substituted cyclopentadienyl or 1-phenylsilyl substituted indenyl; Ind = indenyl) and (L')(Flu)ZrCl2(L' = 1-benzyl substituted indenyl or 2-benzyl substituted indenyl; Flu = fluorenyl) are reported. After activation with methyl aluminoxane (MAO), these complexes are highly active catalysts for homogeneous ethylene polymerization. The influence of various substituents on the catalyst activities and the polymer properties are discussed. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(00)00205-3

文献信息

• Synthesis, characterization and catalytic properties of metallacyclic zirconocene complexes
  作者：Erik H Licht、Helmut G Alt、M.Manzurul Karim

  DOI：10.1016/s0022-328x(00)00004-8

  日期：2000.4

  metallacyclic zirconocene complexes has been synthesized by the reaction of ω-phenyl-substituted zirconocene dichloride complexes with two equivalents of n-butyllithium via CH bond-activation reactions on the phenyl ring. After activation with methyl aluminoxane, these metallacycles are up to five times more active ethylene polymerization catalysts than the original metallocene dichloride complexes similarly

  通过ω-苯基取代的二茂锆二氯化物络合物与二当量的正丁基锂通过苯环上的CH键活化反应反应，已经合成了22种金属环茂锆新络合物。用甲基铝氧烷活化后，这些金属环丙烷的活性乙烯聚合催化剂的活性是同样被活化的原始金属茂二氯化物络合物的五倍。
• Doerrer, Linda H.; Green, Malcolm L. H.; Haeussinger, Daniel, Journal of the Chemical Society, Dalton Transactions, 1999, # 13, p. 2111 - 2118
  作者：Doerrer, Linda H.、Green, Malcolm L. H.、Haeussinger, Daniel、Sassmannshausen, Joerg

  DOI：——

  日期：——