6-methyl-6-(6-t-butoxyhexyl)fulvene | 670222-28-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-methyl-6-(6-t-butoxyhexyl)fulvene
• 英文别名: 5-(8-tert-Butoxyoctan-2-ylidene)cyclopenta-1,3-diene；5-[8-[(2-methylpropan-2-yl)oxy]octan-2-ylidene]cyclopenta-1,3-diene
• CAS: 670222-28-3
• 化学式: C₁₇H₂₈O
• 分子量: 248.409
• InChiKey: SAOXELADHGNYEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  fluorenyllithium diethyl ether 、 6-methyl-6-(6-t-butoxyhexyl)fulvene 以 四氢呋喃 为溶剂， 以97%的产率得到2-methyl-2'-6-t-butoxyhexylmethylene[cyclopentadienyl-fluorene-9-yl]
  参考文献：
  名称：

  The effect that 6-tert-butoxyhexyl functionalization has on ethylene polymerization in ansa-zirconocene dichlorides

  摘要：

  New ansa-zirconocene dichloride derivatives have been prepared, which have a 6-t-butoxyhexyl pendant introduced either on a Cp-ring-carbon or at the silicon and carbon ansa-bridging atom. Ethylene polymerization studies have been carried out with novel precatalysts of the type: [(eta(5)-C13H8)-X(t-BuOC6H12)Me-(eta(5)-C5H4)]ZrCl, [X=C [1a], Si [2a]], [(eta(5)-C13H8)-XMe2-(eta(5)-(t-BuOC6H12C5H3))] ZrCl, [X = C [3a], Si [4a]] in the presence of excess methylalumoxane (MAO) to compare their catalytic activity and to delineate the effect of the 6-t-butoxyhexyl functionality on ethylene polymerization. The precatalysts [1a] and [2a] with the bridge functionality showed higher activity in ethylene polymerization than the corresponding complexes [3a] and [4a] which have it on the Cp ring moiety. On the other hand the silyl bridged complexes [2a] and [4a] produced a higher molecular weight polyethylene than the carbon-bridged one, regardless of the location of functional group. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2003.10.006
• 作为产物：
  描述：

  Magnesium, chloro[6-(1,1-dimethylethoxy)hexyl]- 在 四氢吡咯 、 草酰氯 、 二甲基亚砜 作用下， 以 甲醇 、 乙醚 、 二氯甲烷 为溶剂， 反应 8.0h， 生成 6-methyl-6-(6-t-butoxyhexyl)fulvene
  参考文献：
  名称：

  The effect that 6-tert-butoxyhexyl functionalization has on ethylene polymerization in ansa-zirconocene dichlorides

  摘要：

  New ansa-zirconocene dichloride derivatives have been prepared, which have a 6-t-butoxyhexyl pendant introduced either on a Cp-ring-carbon or at the silicon and carbon ansa-bridging atom. Ethylene polymerization studies have been carried out with novel precatalysts of the type: [(eta(5)-C13H8)-X(t-BuOC6H12)Me-(eta(5)-C5H4)]ZrCl, [X=C [1a], Si [2a]], [(eta(5)-C13H8)-XMe2-(eta(5)-(t-BuOC6H12C5H3))] ZrCl, [X = C [3a], Si [4a]] in the presence of excess methylalumoxane (MAO) to compare their catalytic activity and to delineate the effect of the 6-t-butoxyhexyl functionality on ethylene polymerization. The precatalysts [1a] and [2a] with the bridge functionality showed higher activity in ethylene polymerization than the corresponding complexes [3a] and [4a] which have it on the Cp ring moiety. On the other hand the silyl bridged complexes [2a] and [4a] produced a higher molecular weight polyethylene than the carbon-bridged one, regardless of the location of functional group. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2003.10.006

文献信息

• The effect that 6-tert-butoxyhexyl functionalization has on ethylene polymerization in ansa-zirconocene dichlorides
  作者：Hyosun Lee、Choong Hoon Lee

  DOI：10.1016/j.jorganchem.2003.10.006

  日期：2004.1

  New ansa-zirconocene dichloride derivatives have been prepared, which have a 6-t-butoxyhexyl pendant introduced either on a Cp-ring-carbon or at the silicon and carbon ansa-bridging atom. Ethylene polymerization studies have been carried out with novel precatalysts of the type: [(eta(5)-C13H8)-X(t-BuOC6H12)Me-(eta(5)-C5H4)]ZrCl, [X=C [1a], Si [2a]], [(eta(5)-C13H8)-XMe2-(eta(5)-(t-BuOC6H12C5H3))] ZrCl, [X = C [3a], Si [4a]] in the presence of excess methylalumoxane (MAO) to compare their catalytic activity and to delineate the effect of the 6-t-butoxyhexyl functionality on ethylene polymerization. The precatalysts [1a] and [2a] with the bridge functionality showed higher activity in ethylene polymerization than the corresponding complexes [3a] and [4a] which have it on the Cp ring moiety. On the other hand the silyl bridged complexes [2a] and [4a] produced a higher molecular weight polyethylene than the carbon-bridged one, regardless of the location of functional group. (C) 2003 Elsevier B.V. All rights reserved.