5-(4-甲基-2-戊烷亚基)-1,3-环戊二烯 | 7338-49-0

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 中文名称: 5-(4-甲基-2-戊烷亚基)-1,3-环戊二烯
• 英文名称: 5-(1,3-dimethyl-butylidene)-cyclopenta-1,3-diene
• 英文别名: 5-(1,3-Dimethyl-butyliden)-cyclopenta-1,3-dien；6-methyl-6-isobutylfulvene；5-(1,3-Dimethylbutylidene)-1,3-cyclopentadiene；5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene
• CAS: 7338-49-0
• 化学式: C₁₁H₁₆
• 分子量: 148.248
• InChiKey: MXGVTEAVEDFATH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  5-(4-甲基-2-戊烷亚基)-1,3-环戊二烯 以 四氢呋喃 、 乙醚 为溶剂， 反应 28.0h， 生成
  参考文献：
  名称：

  烯基和烷基取代的4族茂金属二氯化物配合物的合成与表征：在乙烯聚合中的应用

  摘要：

  烯基取代的二茂锆络合物，[Zr的（η 5 -C 5 H ^ 4 {CMeRCH 2 CH 2 CH = CME 2 }）2氯2 ]（R =我（1）中，Ph（2）从的反应制得用四氯化锆制备锂衍生物Li（C 5 H 4 {CMeRCH 2 CH 2 CH = CMe 2 }）（R = Me，Ph），制备大分子烷基取代的环戊二烯基配体前体作为其富烯基衍生物（C 5 H 4）= CMeCH 2 CHMe 2（3）通过环戊二烯与4-甲基-2-戊酮的反应，然后通过LiMe的亲核攻击将其转化为Li（C 5 H 4 {CMe 2 CH 2 CHMe 2 }）（4）。的反应4用[的TiCl 4（THF）2 ]和的ZrCl 4，得到的茂金属配合物[M（η 5 -C 5 H ^ 4 {CME 2 CH 2 CHME 2 }）2氯2 ]（M =的Ti（5） ，Zr（6））。这柄-配体前体，森达2（C 5 HME 4）（C

  DOI：

  10.1016/j.jorganchem.2019.120890
• 作为产物：
  描述：

  环戊二烯 、 4-甲基-2-戊酮 在 四氢吡咯 、 溶剂黄146 作用下， 以69%的产率得到5-(4-甲基-2-戊烷亚基)-1,3-环戊二烯
  参考文献：
  名称：

  烯基和烷基取代的4族茂金属二氯化物配合物的合成与表征：在乙烯聚合中的应用

  摘要：

  烯基取代的二茂锆络合物，[Zr的（η 5 -C 5 H ^ 4 {CMeRCH 2 CH 2 CH = CME 2 }）2氯2 ]（R =我（1）中，Ph（2）从的反应制得用四氯化锆制备锂衍生物Li（C 5 H 4 {CMeRCH 2 CH 2 CH = CMe 2 }）（R = Me，Ph），制备大分子烷基取代的环戊二烯基配体前体作为其富烯基衍生物（C 5 H 4）= CMeCH 2 CHMe 2（3）通过环戊二烯与4-甲基-2-戊酮的反应，然后通过LiMe的亲核攻击将其转化为Li（C 5 H 4 {CMe 2 CH 2 CHMe 2 }）（4）。的反应4用[的TiCl 4（THF）2 ]和的ZrCl 4，得到的茂金属配合物[M（η 5 -C 5 H ^ 4 {CME 2 CH 2 CHME 2 }）2氯2 ]（M =的Ti（5） ，Zr（6））。这柄-配体前体，森达2（C 5 HME 4）（C

  DOI：

  10.1016/j.jorganchem.2019.120890

文献信息

• Alkenylsubstituierte calcocene
  作者：Matthias Westerhausen、Manfred Hartmann、Wolfgang Schwarz

  DOI：10.1016/0022-328x(95)05707-v

  日期：1995.10

  The reaction of calcium bis[bis(trimethylsilyl)amide] with 6-methyl-6-organylfulvene yields calcium bis(1-organyl-ethen-1-yl-cyclo-pentadienide) with organyl groups such as methyl (1), phenyl (2) and iso-butyl (3). Compound 2 crystallizes in the monoclinic space group P2/n with a = 1266.8(2), b = 1225.6(2), c = 1831.4(2) pm, β = 97.65° and Z = 4. The asymmetric unit contains two half-molecules, both

  钙的反应双[双（三甲基硅烷基）酰胺]与6-甲基-6- organylfulvene收率钙双（1-有机基-乙烯-1-基-环-pentadienide）与有机基团，例如甲基（1），苯基（2）和异丁基（3）。化合物2在单斜空间群P2 / n中结晶，其a = 1266.8（2），b = 1225.6（2），c = 1831.4（2）pm，β= 97.65°和Z =4。不对称单元包含两个半-分子，无论是钙原子与由两个四面体扭曲环-pentadienide配体和两个THF分子。始新世1的复分解反应用氯化铁（Ⅱ）生成高产率的相应二茂铁衍生物4。
• Metallocene compound, process for preparing metallocene compund, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin
  申请人：Kawai Koji

  公开号：US20050228155A1

  公开（公告）日：2005-10-13

  The metallocene compound according to the invention and the olefin polymerization catalyst containing the compound are intended to produce a catalyst capable of preparing an isotactic polymer with a high polymerization activity. The metallocene compound contains a substituted cyclopentadienyl group and a (substituted) fluorenyl group and has a structure wherein these groups are bridged by a hydrocarbon group or the like. The process for preparing a metallocene compound according to the invention is intended to selectively prepare a specific metallocene compound so as not to produce an isomer, and in this process an intermediate product is synthesized by a specific method. The process for preparing a polyolefin according to the invention is intended to prepare a polyolefin having excellent impact resistance and transparency, and this process comprises homopolymerizing an α-olefin of 3 to 8 carbon-atoms or copolymerizing an olefin of 3 to 8 carbon atoms and another α-olefin in the presence of an olefin polymerization catalyst containing the above-mentioned metallocene compound.

  本发明的金属茂化合物和含有该化合物的烯烃聚合催化剂旨在生产一个能够制备具有高聚合活性的等规聚物的催化剂。该金属茂化合物含有一个取代环戊二烯基和一个(取代)芴基，并且具有这些基团被碳氢基团或类似物桥接的结构。本发明的制备金属茂化合物的方法旨在选择性地制备特定的金属茂化合物，以避免产生异构体，在该过程中通过特定的方法合成中间产物。本发明的制备聚烯烃的方法旨在制备具有优异的冲击强度和透明度的聚烯烃，该方法包括在上述含有金属茂化合物的烯烃聚合催化剂的存在下，同聚合3到8个碳原子的α-烯烃或共聚合3到8个碳原子的烯烃和另一个α-烯烃。
• Metallocene compound, process for producing metallocene compound, olefin polymerization catalyst, process for producing polyolefin, and polyolefin
  申请人：Kawai Koji

  公开号：US06939928B1

  公开（公告）日：2005-09-06

  The metallocene compound according to the invention and the olefin polymerization catalyst containing the compound are intended to produce a catalyst capable of preparing an isotactic polymer with a high polymerization activity. The metallocene compound contains a substituted cyclopentadienyl group and a (substituted) fluorenyl group and has a structure wherein these groups are bridged by a hydrocarbon group or the like. The process for preparing a metallocene compound according to the invention is intended to selectively prepare a specific metallocene compound so as not to produce an isomer, and in this process an intermediate product is synthesized by a specific method. The process for preparing a polyolefin according to the invention is intended to prepare a polyolefin having excellent impact resistance and transparency, and this process comprises homopolymerizing an α-olefin of 3 to 8 carbon atoms or copolymerizing an olefin of 3 to 8 carbon atoms and another α-olefin in the presence of an olefin polymerization catalyst containing the above-mentioned metallocene compound.

  本发明的金属茂化合物和含有该化合物的烯烃聚合催化剂旨在生产一种能够制备高聚合活性的等规聚合物的催化剂。该金属茂化合物含有取代环戊二烯基基团和（取代）芴基团，并且具有这些基团由碳氢化合物桥接或类似物桥接的结构。本发明的制备金属茂化合物的方法旨在有选择地制备特定的金属茂化合物，以避免产生异构体，在该过程中，通过特定方法合成中间产物。本发明的制备聚烯烃的方法旨在制备具有优异的冲击强度和透明度的聚烯烃，该方法包括在上述含有金属茂化合物的烯烃聚合催化剂的存在下，同聚合3至8个碳原子的α-烯烃或共聚合3至8个碳原子的烯烃和另一种α-烯烃。
• Metallocene compound, process for preparing metallocene compound, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin
  申请人：Mitsui Chemicals, Inc.

  公开号：US07449533B2

  公开（公告）日：2008-11-11

  The metallocene compound according to the invention and the olefin polymerization catalyst containing the compound are intended to produce a catalyst capable of preparing an isotactic polymer with a high polymerization activity. The metallocene compound contains a substituted cyclopentadienyl group and a (substituted) fluorenyl group and has a structure wherein these groups are bridged by a hydrocarbon group or the like. The process for preparing a metallocene compound according to the invention is intended to selectively prepare a specific metallocene compound so as not to produce an isomer, and in this process an intermediate product is synthesized by a specific method. The process for preparing a polyolefin according to the invention is intended to prepare a polyolefin having excellent impact resistance and transparency, and this process comprises homopolymerizing an α-olefin of 3 to 8 carbon-atoms or copolymerizing an olefin of 3 to 8 carbon atoms and another α-olefin in the presence of an olefin polymerization catalyst containing the above-mentioned metallocene compound.

  本发明的金属茂化合物和含有该化合物的烯烃聚合催化剂旨在生产能够制备高聚合活性的同形聚合物的催化剂。该金属茂化合物含有取代环戊二烯基和（取代）芴基，并且具有这些基团由碳氢化合物等桥接的结构。本发明的制备金属茂化合物的方法旨在有选择地制备特定的金属茂化合物，以避免产生异构体，在此过程中，通过特定方法合成了中间产物。本发明的制备聚烯烃的方法旨在制备具有优异的冲击强度和透明度的聚烯烃，该方法包括在上述含有金属茂化合物的烯烃聚合催化剂的存在下，同聚合3至8个碳原子的α-烯烃或共聚合3至8个碳原子的烯烃和另一种α-烯烃。
• Metallocenes, their preparation, olefin polymerisation catalysts and a process for producing polyolefins
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1138687B1

  公开（公告）日：2007-04-11