W(O-t-Bu)2(N-2,6-C6H3-i-Pr2)(CH-t-Bu) | 107440-84-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: W(O-t-Bu)2(N-2,6-C6H3-i-Pr2)(CH-t-Bu)
• 英文别名: W(O-tert-butyl)2(N-2,6-diisopropylphenyl)(CH-tert-butyl)
• CAS: 107440-84-6
• 化学式: C₂₅H₄₅NO₂W
• 分子量: 575.488
• InChiKey: DGUIDJIYDDIWJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.21
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  30.82
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  乙烯-13C2 、 W(O-t-Bu)2(N-2,6-C6H3-i-Pr2)(CH-t-Bu) 以 正戊烷 为溶剂， 生成
  参考文献：
  名称：

  Feldman, Jerald; Davis, William M.; Schrock, Richard R., Organometallics, 1989, vol. 8, # 9, p. 2266 - 2268

  摘要：

  DOI：

文献信息

• Reaction of neopentylidene complexes of the type M(CH-t-Bu)(N-2,6-C6H3-i-Pr2)(OR)2 (M = W, Mo) with methyl acrylate and N,N-dimethylacrylamide to give metallacyclobutane complexes
  作者：Jerald Feldman、John S. Murdzek、William M. Davis、Richard R. Schrock

  DOI：10.1021/om00111a025

  日期：1989.9
• Preparation and reactivity of tungsten(VI) metallacyclobutane complexes. Square pyramids versus trigonal bipyramids
  作者：Jerald Feldman、William M. Davis、Julie K. Thomas、Richard R. Schrock

  DOI：10.1021/om00159a024

  日期：1990.9
• Living ring-opening metathesis polymerization of cyclobutene: the thermodynamic effect of a reversibly binding ligand
  作者：Zhe Wu、David R. Wheeler、Robert H. Grubbs

  DOI：10.1021/ja00027a021

  日期：1992.1

  Trimethylphosphine, PMe3, is shown to bind reversibly to the alkylidene complex W(CH-t-Bu)(NAr)(O-t-Bu)2 (1, Ar = 2,6-diisopropylphenyl), and the binding constants at several temperatures are measured (DELTA-H-degrees = -15.7 kcal/mol, DELTA-S-degrees = -40.7 eu). In the presence of PMe3, 1 catalyzes the living ring-opening metathesis polymerization (ROMP) of cyclobutene to yield polybutadiene with a polydispersity index (PDI) as low as 1.03, based on gel permeation chromatography versus polystyrene standards. The polymerization in the presence of PMe3 is first order in monomer and catalyst concentrations with DELTA-DELTA-G 273K = 19.8 kcal/mol, DELTA-DELTA-H(p) = 20.8 kcal/mol, and DELTA-DELTA-S(p) = 4 eu. The observed rate of initiation of the polymerization is much greater than the rate of propagation. In the absence of trimethylphosphine, the polydispersity of the polymer produced with 1 is broader (PDI > 2) due to the rate of propagation being much greater than that of initiation and the existence of chain termination. This difference is attributed to the fact that PMe3 binds more strongly to the propagating alkylidene complex than to the more sterically bulky initiating neopentylidene.
• Bazan; Khosravi; Schrock, Journal of the American Chemical Society, 1990, vol. 112, # 23, p. 8378 - 8387
  作者：Bazan、Khosravi、Schrock、Feast、Gibson、O'Regan、Thomas、Davis

  DOI：——

  日期：——
• Bazan, Guillermo C.; Schrock, Richard R.; O'Regan, Marie B., Organometallics, 1991, vol. 10, # 4, p. 1062 - 1067
  作者：Bazan, Guillermo C.、Schrock, Richard R.、O'Regan, Marie B.

  DOI：——

  日期：——