3-cyclopenta-1,4-dien-1-yl-N-methylpropan-1-amine | 147974-18-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-cyclopenta-1,4-dien-1-yl-N-methylpropan-1-amine
• CAS: 147974-18-3
• 化学式: C₉H₁₅N
• mdl: MFCD19227270
• 分子量: 137.225
• InChiKey: PTEIAZXHJATDII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.555
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  四(二甲氨基)锆 、 三甲基氯硅烷 、 3-cyclopenta-1,4-dien-1-yl-N-methylpropan-1-amine 以 甲苯 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  Linked cyclopentadienyl–amido complexes of zirconium; ligand dependence of cation–anion interactions and ethene polymerisation activity

  摘要：

  A range of zirconium dichloride complexes [C5H4(CH2)(n)NR]ZrCl2 (n = 2, R = iPr, tBu; n = 3, R = Me, Et, iPr) with linked cyclopentadienyl-amide ancillary ligands were prepared by amine elimination routes. Their dibenzyl derivatives [C5H4(CH2)(n)NR]Zr(CH2Ph)(2) react with B(C6F5)(3) to give the ionic species {[C5H4(CH2)(n)NR]Zr(CH2Ph)} [PhCH2B(C6F5)(3)]. In bromobenzene solvent, the position of the equilibrium between the solvent-separated ion pair and the species in which the anion is eta(6)-coordinated to the metal centre through the B-benzyl phenyl group is strongly dependent on ligand bridge length and substitution. This gives an indication of the overall steric requirement of the ligand system. The activity of the [C5H4(CH2)(n)NR]ZrCl2/methylaluminoxane catalysts in the homopolymerisation of ethene was probed. The [C5H4(CH2)(n)NiPr]Zr-system found to be several times more efficient for n = 3 than for n = 2, with the [C5H4(CH2)(3)NMe]Zr-system being the most active of the compounds studied. (C) 1998 Elsevier Science B.V.

  DOI：

  10.1016/s1381-1169(97)00168-4

文献信息

• Linked cyclopentadienyl–amido complexes of zirconium; ligand dependence of cation–anion interactions and ethene polymerisation activity
  作者：Piet-Jan Sinnema、Koert Liekelema、Oetze K.B Staal、Bart Hessen、Jan H Teuben

  DOI：10.1016/s1381-1169(97)00168-4

  日期：1998.2

  A range of zirconium dichloride complexes [C5H4(CH2)(n)NR]ZrCl2 (n = 2, R = iPr, tBu; n = 3, R = Me, Et, iPr) with linked cyclopentadienyl-amide ancillary ligands were prepared by amine elimination routes. Their dibenzyl derivatives [C5H4(CH2)(n)NR]Zr(CH2Ph)(2) react with B(C6F5)(3) to give the ionic species [C5H4(CH2)(n)NR]Zr(CH2Ph)} [PhCH2B(C6F5)(3)]. In bromobenzene solvent, the position of the equilibrium between the solvent-separated ion pair and the species in which the anion is eta(6)-coordinated to the metal centre through the B-benzyl phenyl group is strongly dependent on ligand bridge length and substitution. This gives an indication of the overall steric requirement of the ligand system. The activity of the [C5H4(CH2)(n)NR]ZrCl2/methylaluminoxane catalysts in the homopolymerisation of ethene was probed. The [C5H4(CH2)(n)NiPr]Zr-system found to be several times more efficient for n = 3 than for n = 2, with the [C5H4(CH2)(3)NMe]Zr-system being the most active of the compounds studied. (C) 1998 Elsevier Science B.V.