3,4-dimethyl-2,4-cyclopentadiene | 4045-51-6

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 3,4-dimethyl-2,4-cyclopentadiene
• 英文别名: 2,3-dimethylcyclopentadiene；2,3-Dimethyl-cyclopentadien；1,3-Cyclopentadiene, 2,3-dimethyl-；2,3-dimethylcyclopenta-1,3-diene
• CAS: 4045-51-6
• 化学式: C₇H₁₀
• 分子量: 94.1564
• InChiKey: MIUBPLNYRNFHLG-UHFFFAOYSA-N

物化性质

• 沸点：
  104.5±7.0 °C(Predicted)
• 密度：
  0.8179 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2902199090

反应信息

• 作为反应物：
  描述：

  3,4-dimethyl-2,4-cyclopentadiene 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and X-ray crystal structure of [Me2Si(C5Me2H2)(tBuN)]MCl2 (M=Ti, Zr) bearing a 3,4-dimethylcyclopentadienyl ring: Investigation of the substitution effect on the cyclopentadienyl (Cp) ring for catalytic performance in ethylene/1-octene (co)polymerization

  摘要：

  Dimethylsilylene bridged 3,4-dimethylcyclopentadienyl/amido titanium and zirconium complexes, namely [Me2Si(C5Me2H2)((BuN)-Bu-t)]MCl2 (M = Ti, Zr), were synthesized by the reactions of the dilithium salt of the ligand with the corresponding inexpensive metal precursors TiCl4(THF)(2) and ZrCl4, respectively. These complexes were characterized by spectroscopic techniques and single crystal X-ray diffraction analysis. In addition, the obtained complexes exhibited high catalytic activities in the polymerization of ethylene and copolymerization of ethylene/1-octene, and afforded PE and poly(ethylene-co-1-octene)s with high molecular weights. Especially, the dimethyl-Cp substituted constrained geometry complex (CGC), [Me2Si(C5Me2H2)((BuN)-Bu-t)]TiCl2 exhibited a higher incorporation ratio of 1-octene at 80 degrees C compared to the tetramethyl-Cp substituted CGC, [Me2Si(C5Me4)((BuN)-Bu-t)]TiCl2 , which was judged by the density and C-13 NMR analysis of the obtained copolymer. This is presumably due to the steric and electronic effects of the two vicinal methyl groups in [Me2Si(C5Me2H2)((BuN)-Bu-t)]MCl2 during the (co)polymerization and specifically, no agostic interactions available in the propagation and termination steps of the (co)polymerization. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.08.072
• 作为产物：
  描述：

  3,4-dimethyl-2-cyclopentenone 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 0.5h， 以21.2 g的产率得到3,4-dimethyl-2,4-cyclopentadiene
  参考文献：
  名称：

  TWI545127

  摘要：

  公开号：

文献信息

• ADVANCED TRANSITION METAL CATALYTIC SYSTEMS IN TERMS OF COMONOMER INCORPORATIONS AND METHODS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND A-OLEFINS USING THE SAME
  申请人：LEE HOSEONG

  公开号：US20120329965A1

  公开（公告）日：2012-12-27

  Provided is a homogeneous catalytic system for use in preparing an ethylene homopolymer or a copolymer of ethylene and α-olefin, and more particularly a Group 4 transition metal compound in which a cyclopentadienyl derivative 3,4-positions of which are substituted with alkyls and an electron-donating substituent are crosslinked around a Group 4 transition metal. Also provided is a method of preparing an ethylene homopolymer or a copolymer of ethylene and α-olefin, having high molecular weight, under high-temperature solution polymerization conditions using the catalytic system including such a transition metal compound and a co-catalyst composed of an aluminum compound, a boron compound or a mixture thereof. The catalyst according to present invention has high thermal stability and enables the incorporation of α-olefin, and is thus effective in preparing an ethylene homopolymer or a copolymer of ethylene and α-olefin, having various properties, in industrial polymerization processes.

  提供了一种均相催化体系，用于制备乙烯均聚物或乙烯和α-烯烃的共聚物，更具体地说是一种第4族过渡金属化合物，其中环戊二烯衍生物的3,4位被烷基和电子给予取代基取代，并且在第4族过渡金属周围交联。还提供了一种制备高分子量乙烯均聚物或乙烯和α-烯烃共聚物的方法，在高温溶液聚合条件下使用包括这种过渡金属化合物和由铝化合物、硼化合物或二者混合物组成的辅助催化剂的催化体系。根据本发明的催化剂具有高热稳定性，并且能够将α-烯烃并入，因此在工业聚合过程中，对于制备具有各种性质的乙烯均聚物或乙烯和α-烯烃的共聚物非常有效。
• Substitution in the cyclopentadienide anion series
  作者：S. McLean、P. Haynes

  DOI：10.1016/s0040-4020(01)93886-4

  日期：1965.1

  It is shown that the cyclopentadienide anion can undergo an electrophilic substitution. In methylation reactions it was possible to stop the reaction at the intermediate 5-substituted cyclopentadiene stage. In the methylcyclopentadienide anion, the methyl group directs an electrophile to the adjacent carbon atom.

  结果表明，环戊二烯阴离子可以进行亲电取代。在甲基化反应中，可以在中间的5-取代的环戊二烯阶段终止反应。在甲基环戊二烯阴离子中，甲基将亲电子体引导至相邻的碳原子。
• Influence of increasing steric demand on isomerization of terminal alkenes catalyzed by bifunctional ruthenium complexes
  作者：Alexey V. Smarun、Wahyu Shahreel、Steven Pramono、Shin Yi Koo、Lai Yoong Tan、Rakesh Ganguly、Dragoslav Vidović

  DOI：10.1016/j.jorganchem.2017.01.023

  日期：2017.4

  cyclopentadienyl- and imidazolyl-phosphine-containing Ru-based complexes bearing a different degree of the Cp-ring methylation has been attempted. According to experimental and structural data the steric factors prevented the formation of the last complex in the series that contains permethylated Cp ring. These complexes were then subjected to alkene isomerization using 1-hexene. The rate of isomerization

  已尝试制备一系列具有不同程度的Cp环甲基化的含环戊二烯基和咪唑基膦的Ru基络合物。根据实验和结构数据，空间因素阻止了含有全甲基化Cp环的系列中最后一个复合物的形成。然后使用1-己烯将这些络合物进行烯烃异构化。通常，异构化速率随着Cp-环甲基化的增加而降低，这表明初始的烯烃配位和/或咪唑基N去配位步骤在整个机理中受到限制。
• Davies, Alwyn G.; Lusztyk, Ewa; Lusztyk, Janusz, Journal of the Chemical Society. Perkin transactions II, 1982, p. 729 - 736
  作者：Davies, Alwyn G.、Lusztyk, Ewa、Lusztyk, Janusz

  DOI：——

  日期：——
• TWI545127
  申请人：——

  公开号：——

  公开（公告）日：——