2-methylallylcyclopentadiene | 22434-02-2

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 2-methylallylcyclopentadiene
• 英文别名: CpCH2C(Me)=CH2；5-(2-Methylprop-2-enyl)cyclopenta-1,3-diene
• CAS: 22434-02-2
• 化学式: C₉H₁₂
• 分子量: 120.194
• InChiKey: XITFYCUCJPZBHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  trichlorotris(tetrahydrofuran)chromium(III) 、 2-methylallylcyclopentadiene 在 n-butyllithium 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以66%的产率得到[((η5-H2C=C(Me)CH2Cp)CrCl(μ-Cl))2]
  参考文献：
  名称：

  Substituted cyclopentadienylchromium(III) complexes containing neutral donor ligands. Synthesis, crystal structures and reactivity in ethylene polymerization

  摘要：

  Lithium derivatives of substituted cyclopentadiene ligands reacted with CrCl3(THF)(3) in THF solution to afford homodinuclear complexes of the type [{(eta(5)-RCp)CrCl(p-Cl)}2] [R = SiMe3 (1), CH2C(Me)CH2 (2)]. Complex 1 reacts with pyrazole (C3H4N2) to yield the mononuclear half-sandwich complex [(eta(5)-Me3SiCp)CrCl2(pyrazole)] (3). The similar complex [Cp*CrCl2(pyrazole)] (4) was synthesised by reaction of [{Cp*CrCl(mu-Cl)}2] with pyrazole. Complex 2 reacts with bidentate ligands to give binuclear complexes of the type [{(eta(5)-CH2C(Me)CH2Cp)CrCl2}(2)(mu-L-L)] [L-L = Ph2PCH2CH2PPh2 (5), trans-Ph2P(O)CH=CHP(O)Ph-2 (6)]. All complexes were structurally characterised by X-ray diffraction. After reaction with methylaluminoxane these complexes are active in the polymerization of ethylene. At 25 degreesC and 4 bar of ethylene, complex 3 yields polyethylene with a bimodal molecular weight distribution centred at 155,000 and 2000 g/mol. Complex 4 shows similar activity, yielding only the low molecular weight fraction. On the other hand, the binuclear complexes 5 and 6 under the same conditions were three times more active than mononuclear complexes. The melting point of the polymers indicates the formation of linear polyethylene. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2003.10.014

文献信息

• Substituted cyclopentadienylchromium(III) complexes containing neutral donor ligands. Synthesis, crystal structures and reactivity in ethylene polymerization
  作者：René Rojas、Mauricio Valderrama、Marı́a Teresa Garland

  DOI：10.1016/j.jorganchem.2003.10.014

  日期：2004.1

  Lithium derivatives of substituted cyclopentadiene ligands reacted with CrCl3(THF)(3) in THF solution to afford homodinuclear complexes of the type [(eta(5)-RCp)CrCl(p-Cl)}2] [R = SiMe3 (1), CH2C(Me)CH2 (2)]. Complex 1 reacts with pyrazole (C3H4N2) to yield the mononuclear half-sandwich complex [(eta(5)-Me3SiCp)CrCl2(pyrazole)] (3). The similar complex [Cp*CrCl2(pyrazole)] (4) was synthesised by reaction of [Cp*CrCl(mu-Cl)}2] with pyrazole. Complex 2 reacts with bidentate ligands to give binuclear complexes of the type [(eta(5)-CH2C(Me)CH2Cp)CrCl2}(2)(mu-L-L)] [L-L = Ph2PCH2CH2PPh2 (5), trans-Ph2P(O)CH=CHP(O)Ph-2 (6)]. All complexes were structurally characterised by X-ray diffraction. After reaction with methylaluminoxane these complexes are active in the polymerization of ethylene. At 25 degreesC and 4 bar of ethylene, complex 3 yields polyethylene with a bimodal molecular weight distribution centred at 155,000 and 2000 g/mol. Complex 4 shows similar activity, yielding only the low molecular weight fraction. On the other hand, the binuclear complexes 5 and 6 under the same conditions were three times more active than mononuclear complexes. The melting point of the polymers indicates the formation of linear polyethylene. (C) 2003 Elsevier B.V. All rights reserved.