ZrCl4(dme), dme=1,2-dimethoxyethane | 220911-51-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ZrCl4(dme), dme=1,2-dimethoxyethane
• 英文别名: ZrCl4(DME)2；1,2-Dimethoxyethane;zirconium(4+);tetrachloride；1,2-dimethoxyethane;zirconium(4+);tetrachloride
• CAS: 220911-51-3
• 化学式: C₄H₁₀Cl₄O₂Zr
• 分子量: 323.158
• InChiKey: KVXDBYVEZWBWDK-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  3.03
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ZrCl4(dme), dme=1,2-dimethoxyethane 、 lithium 2,4,6-trimethylphenoxide 以 乙二醇二甲醚 、 甲苯 为溶剂， 生成 (DME)Cl2Zr(2,4,6-Me3-C6H2O)2
  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
• 作为产物：
  描述：

  乙二醇二甲醚 、 氯化锆(IV) 以 甲苯 为溶剂， 反应 1.25h， 生成 ZrCl4(dme), dme=1,2-dimethoxyethane
  参考文献：
  名称：

  [EN] RACEMOSELECTIVE SYNTHESIS OF RAC-DIORGANOSILYLBIS(2-METHYLBENZO[E]INDEYL) ZIRCONIUM COMPONDS
  [FR] SYNTHESE RACEMOSELECTIVE DE COMPOSES DE RAC-DIORGANOSILYLBIS(2-METHYLBENZO[E]INDENYL)ZIRCONIUM

  摘要：

  本发明涉及一种特定的过程，用于选择性合成式I的立体异构二有机硅基双(2-甲基苯并[e]吲哚)锆化合物，其中通过将硅桥联双吲哚配体与二卤化锆双(3,5-二叔丁基苯氧)-碱加合物反应，形成二有机硅基双(2-甲基苯并[e]吲哚)锆双(3,5-二叔丁基苯氧)，然后使用适当的置换试剂将苯氧基取代为X，以得到式(I)的化合物；其中取代基X可以相同或不同，且均为F、CI、Br、I或直链、环状或支链状的C1-10烷基；取代基R可以相同或不同，且均为直链、环状或支链状的C1-10烷基或C6-10芳基；同时还涉及将这些化合物用作催化剂的用途。

  公开号：

  WO2004037840A1

文献信息

• [EN] RACEMOSELECTIVE PREPARATION OF ISOLABLE ANSA-METALLOCENE BIPHENOXIDE COMPLEXES<br/>[FR] PREPARATION RACEMOSELECTIVE DE COMPLEXES DE BIPHENOXYDES D'ANSA-METALLOCENES ISOLABLES PRESENTANT DES TEMPS D'ISOMERISATION RELATIVEMENT COURS
  申请人：BASELL POLYOLEFINE GMBH

  公开号：WO2004037839A1

  公开（公告）日：2004-05-06

  The invention relates to a process for preparing racemic metallocene biphenoxide complexes by reacting bridged transition metal complexes with cyclopentadienyl derivatives of alkali metals or alkaline earth metals and heating the reaction mixture obtained in this way to a temperature in the range from -78 to 250°C, to the corresponding metallocene biphenoxide complexes and to their use as catalysts or as constituents of catalysts for the polymerization of olefinically unsaturated compounds or as reagents or catalysts in stereoselective synthesis.

  本发明涉及一种制备外消旋的金属茂二苯氧化物配合物的方法，该方法通过将桥式过渡金属配合物与碱金属或碱土金属的环戊二烯基衍生物反应，并将得到的反应混合物加热至-78°C至250°C的温度范围内，制备相应的金属茂二苯氧化物配合物，并将其用作催化剂或催化剂组分，用于烯烃不饱和化合物的聚合，或作为立体选择性合成的试剂或催化剂。
• Metallocene catalysts, catalyst systems, and methods for using the same
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US10730038B2

  公开（公告）日：2020-08-04

  Disclosed herein is a catalyst compound represented by Formula (I) or Formula (II): M is a group 4 metal. Each of R1, R2, R3, R4, R5, R6, R7, R8, and R9 is independently hydrogen, or a C1-C50 substituted or unsubstituted hydrocarbyl, halocarbyl, silylcarbyl, alkoxyl, siloxyl, or one or more of R1 and R2, R2 and R3, R3 and R4, R5 and R6, R6 and R7, and R7 and R8 are joined to form cyclic a saturated or unsaturated ring. Each X is independently a halide or C1-C50 substituted or unsubstituted hydrocarbyl, hydride, amide, alkoxide, sulfide, phosphide, halide, or a combination thereof, or two Xs are joined together to form a metallocycle ring, or two Xs are joined to form a chelating ligand, a diene ligand, or an alkylidene. Also disclosed is a method for using the catalyst compound in a catalyst system to produce polyolefin polymers.

  本文公开了一种催化剂化合物，其由公式（I）或公式（II）表示：其中M是第4族金属。每个R1，R2，R3，R4，R5，R6，R7，R8和R9独立地表示氢，或者是C1-C50取代或未取代的烃基，卤代烃基，硅烷基，烷氧基，硅氧基，或其中的一个或多个，R1和R2，R2和R3，R3和R4，R5和R6，R6和R7，以及R7和R8中的一对结合形成饱和或不饱和环。每个X独立地表示卤素或C1-C50取代或未取代的烃基，氢化物，酰胺，醇盐，硫化物，磷化物，卤化物，或其组合物，或者两个X结合在一起形成金属环，或两个X结合形成螯合配体，二烯基配体或烷基亚烷基。本文还公开了使用该催化剂化合物在催化系统中生产聚烯烃聚合物的方法。
• Early transition metal porphyrins: synthesis, characterization, and reactivity of novel out-of-plane cis-ligated zirconium porphyrin derivatives
  作者：Holger Brand、John Arnold

  DOI：10.1021/om00033a043

  日期：1993.9

  A new class of coordinatively unsaturated zirconium porphyrin compounds, (OEP)ZrR2 [OEP = dianion of octaethylporphyrin; R = chloride, trifluoromethanesulfonate (triflate, OTf), acetate, alkoxide, alkyl, aryl; R2 = cyclooctatetraenyl], has been prepared. (OEP)ZrCl2, prepared by metathesis between Li2OEP(DME)n and ZrCl4(DME), serves as starting material for further functionalization. The organometallic derivatives are very reactive, readily undergoing protonolysis, hydrogenolysis, and insertion of CO2 and acetone into the Zr-C bonds. Cis-ligation in these out-of-plane zirconium porphyrin compounds has been inferred from H-1 NMR measurements and confirmed in three derivatives by X-ray diffraction. Crystallographic data are as follows. (OEP)ZrCl2.0.5Tol: space group P1BAR with a = 9.870(2) angstrom, b = 14.143(3) angstrom, c = 14.498(3) angstrom, alpha = 66.257(17)-degrees, beta = 88.003(17)-degrees, gamma = 79.645(17)-degrees V = 1820.9(8) angstrom3, and Z = 2. (OEP)Zr(O(t)BU)2: space group P1BAR with a = 12.4441(12) angstrom, b = 13.1594(21) angstrom, c = 13.9541(18) angstrom alpha = 89.972(11)-degrees, beta = 99.192(9)-degrees, gamma = 115.487(11)-degrees V = 2045.7(10) angstrom3, and z = 2. (OEP)ZrMe2: space group P1BAR with a = 10.007(3) angstrom, b = 13.062(4) angstrom, c = 14.558(3) angstrom, alpha = 82.83(2)-degrees, beta = 88.24(2)-degrees, gamma = 79.98(2)-degrees, V = 1859.1(12) angstrom3, and Z = 2.
• [EN] RACEMOSELECTIVE PREPARATION OF BRIDGED METALLOCENE COMPLEXES HAVING UNSUBSTITUTED OR 2-SUBSTITUTED INDENYL LIGANDS<br/>[FR] PREPARATION RACEMOSELECTIVE DE COMPLEXES METALLOCENES PONTES RENFERMANT DES LIGANDS INDENYL NON SUBSTITUES OU 2-SUBSTITUES
  申请人：BASELL POLYOLEFINE GMBH

  公开号：WO2004037834A3

  公开（公告）日：2004-06-24
• [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。