lithium 2,3,5,6-tetramethylphenolate | 132992-74-6

• 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: lithium 2,3,5,6-tetramethylphenolate
• 英文别名: Lithium;2,3,5,6-tetramethylphenolate；lithium;2,3,5,6-tetramethylphenolate
• CAS: 132992-74-6
• 化学式: C₁₀H₁₃O*Li
• 分子量: 156.154
• InChiKey: JQUMIMOHUAKRRU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.0
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  、 lithium 2,3,5,6-tetramethylphenolate 以 正己烷 为溶剂， 反应 12.0h， 生成 [Ti(IV)(OC₆HMe₄-2,3,5,6)4]
  参考文献：
  名称：

  Towards supported catalyst models: the synthesis, characterization, redox chemistry, and structures of the complexes Ti(OAr′)₄ (Ar′ = C₆H₄(2-t-Bu), C₆H(2,3,5,6-Me)₄)

  摘要：

  取代苯氧基与TiCl4反应可得到化合物Ti(OAr′)4 (Ar′ = C6H4(2-t-Bu), 1; Ar′ = C6H(2,3,5,6-Me)4, 2)。化合物Ti(OC6H4(2-t-Bu))4, 1，在四方晶系空间群[Formula: see text]下结晶，a = 15.203(4) Å，c = 8.026(3) Å，Z = 2，V = 1855(2) Å3。化合物Ti(OC6H(2,3,5,6-Me)4)4, 2，在正交晶系空间群Pbcn下结晶，a = 16.539(7) Å，b = 16.136(6) Å，c = 27.716(12) Å，Z = 8，V = 7397(9) Å3。这些配合物中的Ti配位球几何最好描述为伪四面体。在1的情况下，严格的晶体学[Formula: see text]对称性被强制实施。化合物2表现出可逆的循环伏安行为，与一电子还原为Ti(III)类似物一致。使用汞钠合金化学还原2可定量形成(C6H(2,3,5,6-Me)4O)2Ti(μ-OC6H(2,3,5,6-Me)4)2Na(THF)2, 3。化合物3与[(COD)Rh(μ-Cl)]2反应不产生Ti(III)/Rh(I)早期-晚期异质双金属(ELHB)配合物(C6H(2,3,5,6-Me)4O)2Ti(μ-OC6H(2,3,5,6-Me)4)2Rh(COD)。所有产物的性质尚不清楚；然而，通过产生2和Rh(0)表明了电子从Ti(III)到Rh(I)的氧化还原化学反应。此外，由光谱数据暗示了配体转移反应产生未经鉴定的Rh-烷氧基。讨论了这对于双金属杂化催化剂系统的烷氧基桥接ELHB模型的合成的影响和后果。关键词：钛苯氧化物、氧化还原化学、结构。

  DOI：

  10.1139/v91-027
• 作为产物：
  描述：

  2,3,5,6-四甲基苯酚 在 正丁基锂 作用下， 以 正己烷 为溶剂， 反应 2.0h， 生成 lithium 2,3,5,6-tetramethylphenolate
  参考文献：
  名称：

  Toth, Robert T.; Stephan, Douglas W., Canadian Journal of Chemistry, 1991, vol. 69, # 1, p. 172 - 178

  摘要：

  DOI：

文献信息

• TRANSITION METAL COMPLEX
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20150105572A1

  公开（公告）日：2015-04-16

  Disclosed is transition metal complex that serves as a catalytic component with which 1-hexene can be produced efficiently with excellent selectivity, even under high temperature conditions, by means of an ethylene trimerization reaction. Said transition metal complex is represented by the following general formula (1), wherein M 1 represents a Group 4 transition metal atom, and R 1 through R 11 and X 1 through X 3 each independently represent a hydrogen atom, a halogen atom, or a specific organic group.

  本发明涉及一种过渡金属配合物，该配合物可作为催化组分，在乙烯三聚反应中，即使在高温条件下，也能高效地选择性地生产1-己烯。所述过渡金属配合物由下述一般式（1）表示，其中M1表示4族过渡金属原子，R1至R11和X1至X3各自独立地表示氢原子、卤素原子或特定的有机基团。
• CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20150105237A1

  公开（公告）日：2015-04-16

  Disclosed is a catalytic component for trimerization containing a transition metal complex with which 1-hexene can be produced efficiently with excellent selectivity, even under high temperature conditions, by means of an ethylene trimerization reaction. Also disclosed is a trimerization catalyst that is obtained by bringing an olefin copolymerization catalyst and an activating co-catalytic component into contact with one another. Said transition metal complex is represented by the following general formula (1), wherein M 1 represents a Group 4 transition metal atom, and R 1 through R 11 and X 1 through X 3 each independently represent a hydrogen atom, a halogen atom, or a specific organic group.

  本发明揭示了一种催化三聚化的催化成分，其中包含一种过渡金属配合物，通过乙烯三聚化反应，即使在高温条件下，也能高效地选择性地生产1-己烯。还揭示了一种三聚化催化剂，其是通过使烯烃共聚催化剂和活化共催化成分相互接触而获得的。所述过渡金属配合物由下述一般式（1）表示，其中M1表示第4族过渡金属原子，R1至R11和X1至X3各自独立地表示氢原子、卤素原子或特定的有机基团。
• TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND
  申请人：Sumitomo Chemical Co., Ltd

  公开号：EP2484685B1

  公开（公告）日：2017-11-01
• Iron(III) phenoxide complexes: models for iron(III)-tyrosine coordination
  作者：Stephen A. Koch、Michelle Millar

  DOI：10.1021/ja00383a057

  日期：1982.9
• 1-HEXENE PRODUCTION PROCESS
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20170036200A1

  公开（公告）日：2017-02-09

  Disclosed is transition metal complex that serves as a catalytic component with which 1-hexene can be produced efficiently with excellent selectivity, even under high temperature conditions, by means of an ethylene trimerization reaction. Said transition metal complex is represented by the following general formula (1), wherein M 1 represents a Group 4 transition metal atom, and R 1 through R 11 and X 1 through X 3 each independently represent a hydrogen atom, a halogen atom, or a specific organic group.