ethylenebis{1-(3-tert-butylcyclopentadiene)} | 129149-26-4

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: ethylenebis{1-(3-tert-butylcyclopentadiene)}
• 英文别名: 3-tert-butyl-1-[2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene
• CAS: 129149-26-4
• 化学式: C₂₀H₃₀
• 分子量: 270.458
• InChiKey: MFRKKCSMXYQGCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 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：

  titanium(III) chloride tetrahydrofuran 、 ethylenebis{1-(3-tert-butylcyclopentadiene)} 在 n-butyl lithium 作用下， 以 四氢呋喃 、 盐酸 、 正己烷 为溶剂， 以86%的产率得到meso-(ethylenebis{η5-1-(3-tert-butylcyclopentadienyl)})titanium dichloride
  参考文献：
  名称：

  合成的手性，桥联的乙烯-二氢呋喃二茂铁的一般合成路线

  摘要：

  DOI：

  10.1021/om00160a016

文献信息

• Variation of polypropylene microtacticity by catalyst selection
  作者：Scott Collins、William J. Gauthier、David A. Holden、Bradley A. Kuntz、Nicholas J. Taylor、David G. Ward

  DOI：10.1021/om00052a064

  日期：1991.6

  The polymerization of propylene with use of soluble catalysts derived from rac-(1,2-ethylenebis(eta-5-3-alkylcyclopentadienyl))zirconium dichlorides (rac-1) and their corresponding meso isomers (meso-1), in combination with methylaluminoxane cocatalyst, was studied. The polymerization activity of catalysts derived from compounds rac-1 and meso-1 was somewhat lower than that reported for the well-studied catalysts of this structural type rac-(ethylenebis(eta-5-indenyl)))zirconium and rac-(ethylenebis(eta-5-tetrahydroindenyl))zirconium dichlorides (2 and 3, respectively); however, the degree of microtacticity of the poly(propylene) produced was higher, as determined by C-13 NMR spectroscopy. The polymerization activity of the meso compounds (meso-1) was lower than that of their racemic counterparts. Finally, meso-(ethylenebis(eta-5-tetrahydroindenyl))zirconium dichloride (4) was isolated in pure form as a minor product from the preparation of the racemic isomer. This compound is less active than its racemic diastereomer 3 and produces atactic poly(propylene). Compound 4 was characterized by a single-crystal X-ray diffraction analysis: space group P2(1)/c; Z = 4; a = 12.051 (2) angstrom, b = 15.184 (3) angstrom, c = 9.939 (2) angstrom, beta = 92.94 (1)degrees; V = 1816.3 (5) angstrom 3; R = 0.0256, R(W) = 0.0299 for 2784 unique reflections with I > 3-sigma(I).