rac-ethanediyl-bis(1-indenyl)zirconium dichloride | 112243-78-4

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: rac-ethanediyl-bis(1-indenyl)zirconium dichloride
• 英文别名: rac-ethylenebis(1-indenyl)zirconium dichloride；ethylenebis(tetrahydroindenyl) zirconium dichloride；ethylenebis(1-indenyl)zirconium dichloride；Rac-ethylenebis(indenyl)ZrCl2；rac-1,2-ethylenebis(indenyl)zirconium dichloride；1,2-ethylene-1,1′-bis(η⁵-indenyl)zirconium(IV) dichloride；rac-(C₂H₄(indenyl)₂)ZrCl₂；rac-C₂H₄(Ind)₂ZrCl₂；{ethylenebis(η5-indenyl)}zirconium dichloride；rac-(EBI)ZrCl₂；rac-ethylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium dichloride；1,2-ethylene-1,1'-bis(η5-indenyl)zirconium dichloride；rac-ethylenebis(indenyl)zirconocene dichloride；rac-ethylene(bis-indenyl)dichlorozirconim；ethylene-bis(indenyl)dichlorozirconium；rac-1,2-bis[indenyl]-ethylene-zirconium dichloride；racemic-ethylenebis(1-indenyl)zirconium dichloride；rac-ethylenebis(indenyl)zirconium(IV) dichloride；(1,2-ethylene-1,1'-bis(η5-indenyl))ZrCl2；[(ethylenebis(indenyl))ZrCl2]；ethylenebis(indenyl)zirconium dichloride；1-(2-inden-1-id-1-ylethyl)-2H-inden-2-ide;zirconium(4+);dichloride
• CAS: 112243-78-4
• 化学式: C₂₀H₁₆Cl₂Zr
• 分子量: 418.477
• InChiKey: TYGIJVHJINRQJV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.59
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  rac-ethanediyl-bis(1-indenyl)zirconium dichloride 在 mehtylalumoxane/trimethylaluminium 作用下， 以 甲苯 为溶剂， 生成 rac-ethylene(bis-indenyl)zirconim(tetramethyl)aluminium
  参考文献：
  名称：

  Use of “TMA-depleted” MAO for the activation of zirconocenes in olefin polymerization

  摘要：

  The behavior of two differently prepared methylaluminoxanes (MAOs) on the activation process of racEt(Ind)(2)ZrCl2 for olefin polymerization was studied. Contrarily to commercial product, the two MAOs used are characterized by a low content of free trimethylaluminium (TMA). MAO-A was prepared by pumping off the TMA contained in commercial MAO, whereas MAO-B was obtained by thermal treatment of TMA with benzophenone. The different elementary steps in the zirconocene activation process depending on the amount and nature of added MAO (commercial and modified ones) were investigated by UV/visible spectroscopy. In all cases, monomethylation of racEt(Ind)(2)ZrCl2 rapidly takes place after addition of small amounts of MAO. Then, abstraction of the second chloride of the metallocene occurs upon addition of larger amounts of MAO (Al/Zr < 200) leading to the formation of highly active catalytic species for hexene polymerization. This is characterized by a bathochromic shift of the zirconocene absorption band. The role of TMA is clearly pointed out by comparing the modified MAO/zirconocene systems with the one based on commercial MAO. The influence of structure and composition of MAO on the activation process is also clearly underlined by the very different amounts of activator needed to get metallocene active species in the presence of commercial and modified cocatalysts. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(02)00071-7
• 作为产物：
  描述：

  zirconium chloride-tetrahydrofuran 、 1,2-bis(indenyl)ethane 在 盐酸 、 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 以52%的产率得到rac-ethanediyl-bis(1-indenyl)zirconium dichloride
  参考文献：
  名称：

  Lee, Ik-Mo; Gauthier, William J.; Ball, JoAnne M., Organometallics, 1992, vol. 11, # 6, p. 2115 - 2122

  摘要：

  DOI：
• 作为试剂：
  描述：

  四氢呋喃 、 2,2-联噻吩-5-乙醛 、 alkaline earth salt of/the/ methylsulfuric acid 在 rac-ethanediyl-bis(1-indenyl)zirconium dichloride 、 Isobutylmagnesium chloride 作用下， 以40 %的产率得到5-([2,2'-bithiophen]-5-yl)-5-phenylpentan-1-ol
  参考文献：
  名称：

  光致低价锆催化醚交叉电偶联

  摘要：

  利用光诱导二茂锆催化实现醚的还原偶联，具有显着的活性和交叉选择性。机理研究表明，低价二茂锆的光激发促进了苄基C( sp3 )−O键的断裂，产生与Zr中心重组的苄基自由基。随后的碳镁化生成苄基格氏试剂，用于下游与脂肪族醚的偶联。

  DOI：

  10.1002/anie.202405449

文献信息

• LACTIDE POLYMERISATION
  申请人：WACKER CHEMIE AG

  公开号：US20170022320A1

  公开（公告）日：2017-01-26

  The present invention relates to a compound having the formula L a M(OR 1 ) b R 2 c X d wherein M is a metal selected from Ti, Zr and Hf; L is a ligand selected from permethylpentalene, (hydro)permethyl-pentalene, (hydro)pentalene, cyclopentadiene, indene and ethylene- or silane-bridged indene, preferably (bis)indene; R 1 is a 1-6C alkyl, substituted or unsubstituted phenyl, or a substituted or unsubstituted phenylalkylene group; R 2 is Me or Et; X is halogen; a=1 to 3, b=1 to 3, c=0 or 1 and d=0, 1, 2 or 3; and dimers thereof, the use of the compound as an initiator in the polymerisation of lactide monomer and a process for producing a polylactide performed by contacting a lactide monomer with the compound.

  本发明涉及具有以下化学式LaM(OR1)bR2cXd的化合物，其中M是从Ti、Zr和Hf中选择的金属；L是从permethylpentalene、(氢)permethyl-pentalene、(氢)pentalene、环戊二烯、茚和乙烯-或硅烷桥联的茚中选择的配体，优选为(双)茚；R1是1-6碳的烷基，取代或未取代的苯基，或取代或未取代的苯基烷基基团；R2是Me或Et；X是卤素；a=1至3，b=1至3，c=0或1，d=0、1、2或3；以及它们的二聚体，该化合物作为乳酸内酯单体聚合的引发剂的用途以及通过将乳酸内酯单体与该化合物接触来生产聚乳酸的方法。
• Novel Synthesis of Zirconocene Difluoride and Alkyl Monofluoride Complexes
  作者：Anke Spannenberg、Perdita Arndt、Wolfgang Baumann、Vladimir V. Burlakov、Uwe Rosenthal、Sigurd Becke、Thomas Weiss

  DOI：10.1021/om049745u

  日期：2004.8.1

  methods for preparation of the zirconocene difluorides rac-(ebthi)ZrF2 (7), (thi)2ZrF2 (8), Me4C2(η5-C5H4)2ZrF2 (9), and Me2Si(η5-C9H10)2ZrF2 (10) and the monofluorides Cp2Zr(F)(CH2CH2-2-Py) (11), rac-(ebthi)Zr(F)(CH2CH2-2-py) (12), (thi)2Zr(F)(CH2CH2-2-py) (13), Me2Si(η5-C5H4)2Zr(F)(CH2CH2-2-py) (14), and Me2Si(η5-C9H10)2ZrF(Me) (15) are reported and compared. The molecular structures of the bis-

  从茂锆双开始（三甲基甲硅烷基）乙炔络合物CP“ 2的Zr（L）（η 2经由-btmsa）的2-乙烯基吡啶络合物CP” 2的Zr（2- vipy）用于二茂锆和二氟一氟化烷基络合物得到阐述一个新的合成方法。与选定的配体不同系统的Cp”实施例2混合[Cp 2 =双（η 5 -环戊二烯基）; ebthi = 1,2-亚乙基- 1,1'-双（η 5 -tetrahydroindenyl）; （THI）2 =双（η 5 -tetrahydroindenyl）; 我2的Si（η 5 -C 5 H ^ 4）2 =二甲基甲硅烷（η 5-环戊二烯基）；（ⅰ）2 =双（η 5 -茚基）; EBI = 1,2-亚乙基- 1,1'-双（η 5 -茚基）; 和Me 2的Si（η 5 -C 9 ħ 10）2 =二甲基甲硅烷基-1,1'-双（η 5 -tetrahydroindenyl）]合成的。在一系列这些调查的新配合物（I）2的Zr（THF）（η
• Zirconium-Catalyzed Carboalumination of α-Olefins and Chain Growth of Aluminum Alkyls: Kinetics and Mechanism
  作者：James M. Camara、Robby A. Petros、Jack R. Norton

  DOI：10.1021/ja104032w

  日期：2011.4.13

  [AlR(3)]. The position of the equilibria between various Zr/Al heterobimetallics and the corresponding zirconium methyl cations has been quantified by use of a Dixon plot, yielding K = 1.1(3) × 10(-4) M, 4.7(5) × 10(-4) M, and 7.6(7) × 10(-4) M at 40 °C in benzene for the catalyst species [rac-(EBI)Zr(μ-Me)(2)AlMe(2)][B(C(6)F(5))(4)], [Cp(2)Zr(μ-Me)(2)AlMe(2)][B(C(6)F(5))(4)], and [Me(2)C(Cp)(2)Zr(

  提出了一种基于 Michaelis-Menten 动力学的具有竞争性抑制的机制，用于 Zr 催化的 α-烯烃碳铝化和 Zr 催化的乙烯烷基铝链增长。AlMe(3) 以快速维持的平衡与活性催化剂结合，形成 Zr/Al 异双金属，抑制聚合并将链从 Zr 转移到 Al。已经研究了由 [(EBI)Zr(μ-Me)(2)AlMe(2)][B(C(6)F(5))(4)] 催化时的碳铝化和链增长的动力学。根据所提出的机制，这两个反应在 [烯烃] 和 [催化剂] 中都是一级反应，而在 [AlR(3)] 中是逆一级反应。各种 Zr/Al 异质双金属化合物与相应的锆甲基阳离子之间的平衡位置已通过使用狄克逊图进行量化，得出 K = 1.1(3) × 10(-4) M, 4。7(5) × 10(-4) M 和 7.6(7) × 10(-4) M 在 40 °C 的苯中作为催化剂种类 [rac-(EBI)Zr(μ-Me)(2)AlMe
• Reactions of Triisobutylaluminum with Unbridged or Bridged Group IV Metallocene Dichlorides
  作者：Damien B. Culver、Jamesjohn Corieri、Graham Lief、Matthew P. Conley

  DOI：10.1021/acs.organomet.2c00067

  日期：2022.4.11

  Reactions between zirconocene or hafnocene dichlorides and alkylaluminum activators are involved in several catalytic reactions. This study describes the products formed in reactions between unbridged metallocenes with varying steric profiles (Cp2ZrCl2 (1), Cp2HfCl2 (2), Cp*CpZrCl2 (3), Cp2*ZrCl2 (4), Cp2*HfCl2 (5)) or ansa-zirconocenes (rac-(2-methyl-SBI)ZrCl2 (6), and rac-(EBI)ZrCl2 (7); 2-methyl-SBI

  锆茂或二氯化铪与烷基铝活化剂之间的反应涉及几种催化反应。本研究描述了在具有不同空间分布的未桥联茂金属之间的反应中形成的产物 (Cp 2 ZrCl 2 ( 1 )、Cp 2 HfCl 2 ( 2 )、Cp*CpZrCl 2 ( 3 )、Cp 2 * ZrCl 2 ( 4 )、Cp 2 * HfCl 2 ( 5 )) 或ansa -zirconocenes ( rac -(2-methyl-SBI)ZrCl 2 ( 6) 和rac -(EBI)ZrCl 2 ( 7 )；2-甲基-SBI =外消旋-Me 2 Si(2-甲基-茚基) 2；rac -EBI = rac -C 2 H 4 (茚基) 2 ) 与 12 当量的三异丁基铝 (TIBA)。选择 12:1 Al/Zr 比率是因为之前的结果 ( ACS Cent Sci. 2021, 7,1225–1231) 表明未桥接的茂金属与 12 equiv
• 一种胺基金属化合物及其制备方法与应用
  申请人：上海化工研究院有限公司

  公开号：CN114195816B

  公开（公告）日：2023-06-06

  本发明涉及一种胺基金属化合物及其制备方法与应用，制备方法包括以下步骤：1)以含有铵阳离子的铵盐为原料，在氮阴离子化试剂作用下进行氮阴离子化反应，得到氮阴离子化铵盐；2)将氮阴离子化铵盐与金属卤代物反应，经后处理即得到胺基金属化合物，该胺基金属化合物用于制备桥联茂金属化合物。与现有技术相比，本发明操作方便，危险性小；便于精确计量，无胺类废气；吸水性小，便于干燥，制得产物不需要精馏提纯可直接使用。