苯酚,2,4-二(1,1-二甲基乙基)-,盐锂 | 173976-67-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯酚,2,4-二(1,1-二甲基乙基)-,盐锂
• 英文名称: lithium 2,4-di-tert-butylphenolate
• 英文别名: lithium 2,4-di-tert-butylphenoxide；2,4-di-tert-butylphenolate；Li(2,4-tBu2-C6H3O)；Lithium;2,4-ditert-butylphenolate
• CAS: 173976-67-5
• 化学式: C₁₄H₂₁LiO
• 分子量: 212.261
• InChiKey: NEXCPZMYVDZZIX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.36
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  23.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  苯酚,2,4-二(1,1-二甲基乙基)-,盐锂 、 Pb(CH{(CH3)CN-2,6-iPr2C6H3}2)Cl 以 甲苯 为溶剂， 生成 [[(N(2,6-i-Pr2C6H3)C(Me))2CH]Pb(2,4-di-tert-butylphenoxide)]
  参考文献：
  名称：

  The synthesis of monomeric terminal lead aryloxides: dependence on reagents and conditions

  摘要：

  末端芳氧化物铅的成功合成取决于反应条件，包括溶剂和碱金属芳氧化物前体的选择。

  DOI：

  10.1039/b707984b
• 作为产物：
  描述：

  2,4-二叔丁基苯酚 在 正丁基锂 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 1.25h， 生成 苯酚,2,4-二(1,1-二甲基乙基)-,盐锂
  参考文献：
  名称：

  [EN] PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES
  [FR] PREPARATION DE COMPLEXES DE RAC-ANSA-METALLOCENES PARTIELLEMENT HYDROGENES

  摘要：

  该发明涉及一种制备氢化或部分氢化、消旋的ansa-金属茂配合物的方法，通过将桥联或非桥联的过渡金属配合物与碱金属化合物或碱土金属化合物反应，将所得的反应混合物加热至-78至250°C范围内的温度，并在适当催化剂存在下至少部分地对反应产物进行氢化，得到相应的氢化或部分氢化的茂金属烯，并将其用作催化剂或催化剂组分，用于聚合烯烃不饱和化合物或立体选择性合成中的试剂或催化剂。

  公开号：

  WO2004037838A1

文献信息

• Cp*Ru Alkoxides with σ-Bridging Phenoxo Groups. X-ray Structure of [Cp*Ru(μ-OMe)(μ-OC₆H₃-2,4-(<i>t</i>-Bu)₂)]
  作者：Karin Bücken、Ulrich Koelle、Roland Pasch、Beate Ganter

  DOI：10.1021/om9601211

  日期：1996.6.25

  [Cp*RuOMe]2 (1) reacts with phenols by successive exchange of one and two OMe groups for the phenolato group, forming mixed μ-methoxy−μ-phenolato complexes (5) and bis(μ-phenolato) dimeric complexes (6) successively. The latter, by an intramolecular rearrangement, convert into Cp*Ru(η5-oxocyclohexadienyl) complexes (7). With phenol and 2-methyl-5-isopropylphenol (carvacrol) the stepwise reactions were

  [Cp * RuOMe] 2（1）通过将一个和两个OMe基团连续交换为酚基与酚反应，形成混合的μ-甲氧基-μ-酚基复合物（5）和双（μ-酚基）二聚体复合物（6））。后者，通过分子内重排，转化成的Cp *茹（η 5 -oxocyclohexadienyl）复合物（7）。用苯酚和2-甲基-5-异丙基苯酚（香芹酚），逐步反应通过NMR光谱法进行。使用2,4-二叔丁基苯酚，可以分离出单（酚基）（5c）和双（酚基）（6c）配合物。后者的复合物最好从Cp * Ru（脯氨酸）（8）和1。配合物5c的特征在于X射线结构。该分子结构非常相似，发现了一个1。
• C−S Bond Formation Reaction between a Phenolate and Disulfide-Bridged Dicopper(I) Complexes
  作者：Takao Osako、Yoshiki Ueno、Yoshimitsu Tachi、Shinobu Itoh

  DOI：10.1021/ic049495+

  日期：2004.10.1

  A novel C-S bond formation reaction took place, when a lithium phenolate derivative was treated with a disulfide-bridged dicopper(I) complex or a bis(micro-thiolato)dicopper(II) complex under very mild conditions. The reaction has been suggested to proceed via a disulfide-bridged (micro-phenoxo)dicopper(I) complex as the common reaction intermediate. Copper(II) complexes of the modified ligands containing

  当在非常温和的条件下，用二硫桥联的双铜（I）配合物或双（微硫醇基）双铜（II）配合物处理酚酸锂衍生物时，发生了新型的CS键形成反应。已建议该反应通过二硫键桥接的（微-苯氧）二铜（I）配合物作为常见反应中间体进行。已分离出含有硫醚基团的修饰配体的铜（II）配合物（CS键形成反应的产物），并通过X射线分析对其结构进行了表征，作为半乳糖氧化酶活性位点的模型化合物。还讨论了与半乳糖氧化酶有机辅因子Tyr-Cys的生物合成机理有关的CS键形成反应的机理。
• Synthesis of Imidazolin-2-iminato Titanium Complexes Containing Aryloxo Ligands and Their Catalytic Performance in the Polymerization of α-Olefins
  作者：Dana Shoken、Linda J. W. Shimon、Matthias Tamm、Moris S. Eisen

  DOI：10.1021/acs.organomet.6b00117

  日期：2016.4.25

  The synthesis of mixed (aryloxo)(imidazolin-2-inainato)-titanium dichloride complexes is presented. Full characterization of the complexes, including solid-state X-ray diffraction analysis of four complexes, is reported. Their catalytic activity in the polymerization of ethylene, propylene, 1-hexene, and 1-octene was studied. The different substituents at the aryloxo moiety were found to have a substantial impact on the reactivity of the complexes, indicating the need for a balance of steric and electronic effects. The complex (1,3-di-tert-butylimidazolin-2-iminato)(2,6-di-tert-butyl-4-methylphenoxide)-titanium dichloride (1) was found to be the most active in the polymerization of ethylene, whereas the complex (1,3-di-tert-butylimidazolin-2-iminato)(2,6-di-tert-butylphenoxide)titanium dichloride (2) was found to be the most active in the polymerization of propylene. Interestingly, all complexes were more active in the polymerization of propylene than in that of ethylene.
• US6429273B1
  申请人：——

  公开号：US6429273B1

  公开（公告）日：2002-08-06
• [EN] PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES<br/>[FR] PREPARATION DE COMPLEXES DE RAC-ANSA-METALLOCENES PARTIELLEMENT HYDROGENES
  申请人：BASELL POLYOLEFINE GMBH

  公开号：WO2004037838A1

  公开（公告）日：2004-05-06

  The invention relates to a process for preparing hydrogenated or partially hydrogenated, racemic ansa-metallocene complexes by reacting bridged or unbridged transition metal complexes with alkali metal compounds or alkaline earth metal compounds, heating the resulting reaction mixture to a temperature in the range from -78 to 250°C and at least partially hydrogenating the reaction products in the presence of a suitable catalyst, to the corresponding hydrogenated or partially hydrogenated metallocenes and to their use as catalysts or as a constituent of catalysts for the polymerization of olefinically unsaturated compounds or as reagents or catalysts in stereoselective synthesis.

  该发明涉及一种制备氢化或部分氢化、消旋的ansa-金属茂配合物的方法，通过将桥联或非桥联的过渡金属配合物与碱金属化合物或碱土金属化合物反应，将所得的反应混合物加热至-78至250°C范围内的温度，并在适当催化剂存在下至少部分地对反应产物进行氢化，得到相应的氢化或部分氢化的茂金属烯，并将其用作催化剂或催化剂组分，用于聚合烯烃不饱和化合物或立体选择性合成中的试剂或催化剂。