(1-丁基-2,4-环戊二烯-1-基)-锂 | 135630-43-2

• 分子结构分类: 有机化合物
• 中文名称: (1-丁基-2,4-环戊二烯-1-基)-锂
• 英文名称: lithium 1-butylcyclopenta-2,4-dien-1-ide
• 英文别名: lithium n-butylcyclopentadienide；lithium butylcyclopentadienide；n-BuCpLi；lithium;5-butylcyclopenta-1,3-diene
• CAS: 135630-43-2
• 化学式: C₉H₁₃*Li
• 分子量: 128.143
• InChiKey: SKUSBQRVKWQOBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.25
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  hexaamminenickel (II) chloride 、 (1-丁基-2,4-环戊二烯-1-基)-锂 以99%的产率得到dibutylnickelocene
  参考文献：
  名称：

  Dyagileva, L. M.; Tsyganova, E. I.; Mar'in, V. P., Journal of general chemistry of the USSR, 1991, vol. 61, p. 658 - 661

  摘要：

  DOI：

文献信息

• Method and system for forming a precursor compound for non-bridged unsymmetric polyolefin polymerization catalyst
  申请人：Chevron Phillips Chemical Company LP

  公开号：US08013177B2

  公开（公告）日：2011-09-06

  The present techniques relates generally to polyolefin catalysts and, more specifically, to preparing a precursor compound for an unsymmetric metallocene catalyst, for using the precursor compound to prepare catalysts, and for employing the precursor compounds to prepare catalysts for polyolefin polymerizations.

  这些技术通常与聚烯烃催化剂有关，更具体地说，涉及制备非对称茂金属催化剂的前体化合物，利用前体化合物制备催化剂，并利用前体化合物制备聚烯烃聚合物催化剂。
• Improved synthesis of (η5-CpR)M(CO)4 compounds and the Nujol matrix photochemistry of (η5-C5H5)M(CO)4 and (η5-C9H7)M(CO)4, where M=Nb and Ta
  作者：Thomas E Bitterwolf、Skip Gallagher、J.Timothy Bays、Bruce Scallorn、Arnold L Rheingold、Ilia A Guzei、Louise Liable-Sands、John C Linehan

  DOI：10.1016/s0022-328x(97)00735-3

  日期：1998.4

  Improved preparative routes for cyclopentadienyl (Cp) and substituted Cp(CO)4 derivatives of niobium and tantalum and their precursors are described. New compounds are fully characterized by IR, NMR, and elemental analysis. The molecular structures of five compounds were determined: (vinylCp)Nb(CO)4: triclinic, Pı̄, a=6.770(1) Å, b=6.937(1) Å, c=12.706(2) Å, α=90.42(1)°, β=91.07(1)°, γ=105.560(8)°

  描述了铌和钽的环戊二烯基（CP）和取代的CP（CO）4衍生物及其前体的改进制备路线。新化合物通过IR，NMR和元素分析得到充分表征。测定的五种化合物的分子结构：（vinylCP）NB（CO）4：三斜晶系，P I，一个= 6.770（1）埃，b = 6.937（1）埃，c ^ = 12.706（2）埃，α = 90.42 （1）°，β = 91.07（1）°，γ = 105.560（8）°，V = 574.71（12）一种3，ž = 2，- [R （˚F）= 2.82; （乙酰基CP）Nb（CO）4：单斜晶系，P 2 1 / ç，一个= 10.316（2）埃，b = 14.490（3）埃，c ^ = 7.957（3）埃，β = 94.68（2）°，V = 1185.4（4）3，Z = 4，R（F）= 2.58；（CP）的Ta（CO）4：斜方晶系，晶Pnma，一个= 7.756（1）埃，b =
• Titanium and Zirconium Permethylpentalene Complexes, Pn*MCp^RX, as Ethylene Polymerization Catalysts
  作者：Duncan A. X. Fraser、Zoë R. Turner、Jean-Charles Buffet、Dermot O’Hare

  DOI：10.1021/acs.organomet.6b00417

  日期：2016.8.22

  A family of group 4 permethylpentalene complexes, Pn*(MCpX)-X-R (M = Ti, Zr; Cp-R = Cp, Cp-Me, Cp-iBu, Cp-nBu, Cp-Me3, Ind; X = Cl, Me), has been synthesized and fully characterized by multinuclear NMR spectroscopy, elemental analysis, and single-crystal X-ray diffraction studies. These complexes were immobilized on an insoluble polymethylaluminoxane (sMAO), MAO-modified silica (ssMAO), and a MAO-modified layered double hydroxide (LDH-MAO). The effect of substitution around the Cp ligand was examined in relation to their performance (activity, M-W, PDI, polymer morphology) for ethylene polymerization measured both in solution and in slurry phase. Maximum solution-phase activities of 3585 kg/mol center dot h center dot bar were recorded at modest [Zr]:[Al] ratios of 1:250. These were compared to the activities recorded using the equivalent solid-supported complexes, and it was observed that sMAO was a superior support material with average increases in activity of 5.3 and 2.3 times relative to ssMAO and LDH-MAO, respectively. Most striking was the observation that slurry-phase ethylene polymerization activities using equivalent precatalysts supported on sMAO showed enhanced performance compared to the solution phase up to a maximum of 4486 kg/mol center dot h center dot bar.