[trans-1,2-bis(2-hydroxy-3,5-di-tert-butylbenzylsulfanyl)cyclooctane]

• 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: [trans-1,2-bis(2-hydroxy-3,5-di-tert-butylbenzylsulfanyl)cyclooctane]
• 英文别名: trans-1,2-bis(2-hydroxy-3,5-di-tert-butylbenzylsulfanyl)cyclooctane；([OSSO]H2)；trans-1,2-(SCH2C6H2(t-Bu)2OH)2-cycloctanediyl；C8H14(SCH2((t-Bu)2C6H2(OH)))2；C8H14[Osso]H2；2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]phenol
• 化学式: C₃₈H₆₀O₂S₂
• 分子量: 613.025
• InChiKey: AZEWCDOLWAAFCQ-ROJLCIKYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.9
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  91.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tetrakis(diethylamido)titanium(IV) 、 [trans-1,2-bis(2-hydroxy-3,5-di-tert-butylbenzylsulfanyl)cyclooctane] 以 甲苯 为溶剂， 以26%的产率得到[Ti(IV)(trans-1,2-(SCH2C6H2(t-Bu)2O)2-cycloctanediyl)(NEt2)]2
  参考文献：
  名称：

  基于反式-环辛烷二基平台的[OSSO]型双（酚基）配体支持的钛配合物：合成，结构和1-己烯聚合

  摘要：

  反-Cyclooctanediyl桥连[OSSO]型配体4分发生反应用TiCl 4 4（THF）2在甲苯中，以产生相应的钛（IV）二氯络合物作为不可分离的混合物的顺式-α异构体6A和顺式-β异构体6B在比率为2：1，而在Et 2 O中用TiCl 3（thf）3处理4的二硫代盐可得到氯桥联的二聚钛（III）络合物8，这表明在非极性溶剂溶液中具有反铁磁特性。二（异丙氧基）钛（IV）络合物10具有通过4与Ti（O i Pr）4在甲苯中的黄色晶体反应，合成了C 2对称的顺式-α构型。此外，在甲苯中4与Ti（NEt 2）4的反应导致意外形成[OSSO]型双（酚基）桥连的双核二氨基钛（IV）配合物11，钛上采用了扭曲的四面体几何形状中央。这些钛复合物的复合物的分子结构，其特征在于它们的NMR光谱数据的基础上，和8，10，和11通过单晶X射线衍射确定。钛（IV）和（III）配合物6和8在甲苯中经助催化剂

  DOI：

  10.1021/ic2016484
• 作为产物：
  描述：

  trans-cyclooctane-1,2-dithiol 、 3,5-di-tert-butyl-2-hydroxybenzyl bromide 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以89%的产率得到[trans-1,2-bis(2-hydroxy-3,5-di-tert-butylbenzylsulfanyl)cyclooctane]
  参考文献：
  名称：

  CATALYST FOR STEREOSELECTIVE OLEFIN POLYMERIZATION AND METHOD FOR MANUFACTURING STEREOSELECTIVE POLYOLEFIN

  摘要：

  一种立体选择性烯烃聚合催化剂包含由式（1）表示的复合物： 其中n为2或3；R1和R2分别为可选择取代的烷基或卤素原子；L为CH2R3表示的配体、卤素原子、OR4或NR5R6；R3为氢原子、芳香族基团或三烷基硅基团；R4为具有1至6个碳原子的低烷基基团；R5和R6分别为氢原子或具有1至6个碳原子的低烷基基团。一种制备立体选择性聚烯烃的方法包括在催化剂存在下聚合烯烃。本发明提供了一种催化剂，可以实现高度立体选择性的聚合，生成具有显著高分子量的聚合物，并且可以制备具有窄分子量分布（Mw/Mn）或尖锐分子量分布的立体选择性聚烯烃，并提供了一种使用该催化剂制备立体选择性聚烯烃的方法。

  公开号：

  US20130059991A1

文献信息

• CATALYST FOR STEREOSELECTIVE OLEFIN POLYMERIZATION AND METHOD FOR MANUFACTURING STEREOSELECTIVE POLYOLEFIN
  申请人：Ishii Akihiko

  公开号：US20130059991A1

  公开（公告）日：2013-03-07

  A stereoselective olefin polymerization catalyst contains a complex represented by Formula (1): wherein n is 2 or 3; R 1 and R 2 are independently an optionally substituted alkyl group or a halogen atom; L is a ligand represented by CH 2 R 3 , a halogen atom, OR 4 , or NR 5 R 6 ; R 3 is a hydrogen atom, an aromatic group, or a trialkylsilyl group; R 4 is a lower alkyl group having 1 to 6 carbon atoms; and R 5 and R 6 are independently a hydrogen atom or a lower alkyl group having 1 to 6 carbon atoms. A method for manufacturing stereoselective polyolefin, includes polymerizing an olefin in the presence of the catalyst. The present invention provides a catalyst which enables highly isoselective polymerization generating a polymer having significantly high molecular weight and also can prepare stereoselective polyolefin with a narrow dispersity (Mw/Mn) or with a sharp molecular weight distribution, and provides a method for manufacturing stereoselective polyolefin with the catalyst.

  一种立体选择性烯烃聚合催化剂包含由式（1）表示的复合物： 其中n为2或3；R1和R2分别为可选择取代的烷基或卤素原子；L为CH2R3表示的配体、卤素原子、OR4或NR5R6；R3为氢原子、芳香族基团或三烷基硅基团；R4为具有1至6个碳原子的低烷基基团；R5和R6分别为氢原子或具有1至6个碳原子的低烷基基团。一种制备立体选择性聚烯烃的方法包括在催化剂存在下聚合烯烃。本发明提供了一种催化剂，可以实现高度立体选择性的聚合，生成具有显著高分子量的聚合物，并且可以制备具有窄分子量分布（Mw/Mn）或尖锐分子量分布的立体选择性聚烯烃，并提供了一种使用该催化剂制备立体选择性聚烯烃的方法。
• Zirconium Complex of an [OSSO]-Type Diphenolate Ligand Bearing <i>trans</i>-1,2-Cyclooctanediylbis(thio) Core: Synthesis, Structure, and Isospecific 1-Hexene Polymerization
  作者：Akihiko Ishii、Tomoyuki Toda、Norio Nakata、Tsukasa Matsuo

  DOI：10.1021/ja903369q

  日期：2009.9.30

  Six-coordinated dibenzyl Zr complex bearing an [OSSO]-type tetradentate ligand was synthesized, and the structure was fully characterized by NMR spectroscopy and X-ray crystallography. The zirconium complex has C(2) symmetry in solution. Owing to an effect of the cyclooctane ring structure, the combination of the zirconium complex and B(C(6)F(5))(3) or (Ph(3)C)[B(C(6)F(5))(4)] as the activator exhibited high activity toward polymerization of 1-hexene to yield highly isotactic poly(1-hexene).
• ETHYLENIC POLYMERIZATION CATALYST AND METHOD FOR MANUFACTURING ETHYLENIC POLYMER
  申请人：Ishi Akihiko

  公开号：US20130035462A1

  公开（公告）日：2013-02-07

  A catalyst for homopolymerization of ethylene or copolymerization of ethylene and an α-olefin comprises a complex represented by Formula (1): wherein n is 2 or 3; R 1 and R 2 are independently an optionally substituted alkyl group or a halogen atom; L is a ligand represented by CH 2 R 3 , a halogen atom, OR 4 , or NR 5 R 6 ; R 3 is a hydrogen atom, an aromatic group, or a trialkylsilyl group; R 4 is a lower alkyl group having 1 to 6 carbon atoms; and R 5 and R 6 are independently a hydrogen atom or a lower alkyl group having 1 to 6 carbon atoms. A method for manufacturing an ethylenic polymer involves homopolymerization of ethylene or copolymerization of ethylene and an α-olefin in the presence of the catalyst. The present invention provides a highly active tetradentate post-metallocene complex for ethylenic polymerization and a method for manufacturing the ethylenic polymer using the catalyst containing the complex.
• OLEFIN POLYMER PRODUCING METHOD, ETHYLENE POLYMER, AND MOLD PRODUCT
  申请人：OCHI Naoko

  公开号：US20130041119A1

  公开（公告）日：2013-02-14

  A method for producing an olefin polymer, including: polymerizing olefin monomers using the following substance (A1), the following substance (A2), and an activating agent (B): the substance (A1): a complex represented by the following general formula (1-1) or (1-2) the substance (A2): a transition metal compound represented by the following general formula (8) or a μ-oxo-type dimer of a transition metal compound represented by the general formula (8)
• Titanium Complexes Supported by an [OSSO]-Type Bis(phenolato) Ligand Based on a <i>trans</i>-Cyclooctanediyl Platform: Synthesis, Structures, and 1-Hexene Polymerization
  作者：Norio Nakata、Tomoyuki Toda、Tsukasa Matsuo、Akihiko Ishii

  DOI：10.1021/ic2016484

  日期：2012.1.2

  Di(isopropoxy) titanium(IV) complex 10 having a C2-symmetric cis-α configuration was synthesized by the reaction of 4 with Ti(OiPr)4 in toluene as yellow crystals. Moreover, the reaction of 4 with Ti(NEt2)4 in toluene resulted in the unexpected formation of [OSSO]-type bis(phenolato)-bridged dinuclear diamido titanium(IV) complex 11, which adopted a distorted tetrahedral geometry on the titanium center. These

  反-Cyclooctanediyl桥连[OSSO]型配体4分发生反应用TiCl 4 4（THF）2在甲苯中，以产生相应的钛（IV）二氯络合物作为不可分离的混合物的顺式-α异构体6A和顺式-β异构体6B在比率为2：1，而在Et 2 O中用TiCl 3（thf）3处理4的二硫代盐可得到氯桥联的二聚钛（III）络合物8，这表明在非极性溶剂溶液中具有反铁磁特性。二（异丙氧基）钛（IV）络合物10具有通过4与Ti（O i Pr）4在甲苯中的黄色晶体反应，合成了C 2对称的顺式-α构型。此外，在甲苯中4与Ti（NEt 2）4的反应导致意外形成[OSSO]型双（酚基）桥连的双核二氨基钛（IV）配合物11，钛上采用了扭曲的四面体几何形状中央。这些钛复合物的复合物的分子结构，其特征在于它们的NMR光谱数据的基础上，和8，10，和11通过单晶X射线衍射确定。钛（IV）和（III）配合物6和8在甲苯中经助催化剂