2-bromo-6-adamantyl-4-methylphenol | 1015257-39-2

• 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: 2-bromo-6-adamantyl-4-methylphenol
• 英文别名: 2-(adamantan-1-yl)-6-bromo-4-methylphenol；2-bromo-4-methyl-6-adamantylphenol；2-adamantyl-4-methyl-6-bromophenol；2-(1-Adamantyl)-6-bromo-4-methylphenol；2-(1-adamantyl)-6-bromo-4-methylphenol
• CAS: 1015257-39-2
• 化学式: C₁₇H₂₁BrO
• 分子量: 321.257
• InChiKey: ZESGAGCINRPISM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-bromo-6-adamantyl-4-methylphenol 在 正丁基锂 、 四甲基乙二胺 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 、 mineral oil 为溶剂， 反应 39.0h， 生成
  参考文献：
  名称：

  遷移金属化合物、オレフィン重合用触媒およびオレフィン系重合体の製造方法

  摘要：

  提供一种新型过渡金属化合物，可用于用于烯烃聚合的催化剂，以提取出对烯烃聚合体的高功能化性能。通用式（1）的过渡金属化合物，包括这种化合物的烯烃聚合用催化剂以及使用该催化剂制备烯烃聚合体的方法（式中，M代表周期表第3〜10族的过渡金属原子，R1〜R3代表氢原子等，C1、C2代表碳原子，D代表带有取代基的氧原子等，L1、L2代表氧原子等，E1、E2代表连接基，n代表M的化合价，X代表卤素原子等）。【化１】【选择图】无

  公开号：

  JP2018162231A
• 作为产物：
  描述：

  2-(1-金刚烷基)-4-甲基苯酚 在 溴 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以96%的产率得到2-bromo-6-adamantyl-4-methylphenol
  参考文献：
  名称：

  遷移金属化合物、オレフィン重合用触媒およびオレフィン系重合体の製造方法

  摘要：

  提供一种新型过渡金属化合物，可用于用于烯烃聚合的催化剂，以提取出对烯烃聚合体的高功能化性能。通用式（1）的过渡金属化合物，包括这种化合物的烯烃聚合用催化剂以及使用该催化剂制备烯烃聚合体的方法（式中，M代表周期表第3〜10族的过渡金属原子，R1〜R3代表氢原子等，C1、C2代表碳原子，D代表带有取代基的氧原子等，L1、L2代表氧原子等，E1、E2代表连接基，n代表M的化合价，X代表卤素原子等）。【化１】【选择图】无

  公开号：

  JP2018162231A

文献信息

• Lewis Base Catalysts and Methods Thereof
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US20200255555A1

  公开（公告）日：2020-08-13

  The present disclosure relates to Lewis base catalysts. Catalysts, catalyst systems, and processes of the present disclosure can provide high temperature ethylene polymerization, propylene polymerization, or copolymerization as the Lewis base catalysts can be stable at high polymerization temperatures and have good activity at the high polymerization temperatures. The stable catalysts with good activity can provide formation of polymers having high melting points, high isotacticity, and controllable molecular weights, and the ability to make an increased amount of polymer in a given reactor, as compared to conventional catalysts. Hence, the present disclosure demonstrates highly active catalysts capable of operating at high reactor temperatures while producing polymers with controlled molecular weights and or robust isotacticity.

  本公开涉及路易斯碱催化剂。本公开的催化剂、催化剂体系和工艺可以提供高温乙烯聚合、丙烯聚合或共聚合，因为路易斯碱催化剂在高聚合温度下能够稳定，并且在高聚合温度下具有良好的活性。具有良好活性的稳定催化剂可以提供具有高熔点、高异构度和可控分子量的聚合物形成，并且相比传统催化剂，能够在给定反应器中生产更多量的聚合物。因此，本公开展示了能够在高反应器温度下运行的高活性催化剂，同时生产具有可控分子量和/或强偏晶性的聚合物。
• NON-METALLOCENE ORGANOMETALLIC COMPLEXES AND RELATED METHODS AND SYSTEMS
  申请人：Agapie Theodor

  公开号：US20080177020A1

  公开（公告）日：2008-07-24

  A non-metallocene organometallic complex comprising a tridentate ligand and a metal bonded to a tridentate ligand, wherein two substituted aryl groups in the tridentate ligand are connected to a cyclic group at the ortho position via semi-rigid ring-ring linkages, and selected so to provide the resulting non-metallocene organometallic complex with a C S geometry, a C 1 geometry, a C 2 geometry or a C 2v geometry. Method for performing olefin polymerization with a non-metallocene organometallic complex as a catalyst, related catalytic systems, tridentate ligand and method for providing a non-metallocene organometallic complex

  一种非金属卡宾有机金属配合物，包括三牙配体和金属与三牙配体结合，其中三牙配体中的两个取代基苯基通过半刚性环环连接连接到正交位上的环状基团上，并选择使得所得到的非金属卡宾有机金属配合物具有CS几何构型、C1几何构型、C2几何构型或C2v几何构型。使用非金属卡宾有机金属配合物作为催化剂进行烯烃聚合的方法，相关催化系统，三牙配体以及提供非金属卡宾有机金属配合物的方法。
• Lewis base catalysts and methods thereof
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US11214634B2

  公开（公告）日：2022-01-04

  The present disclosure relates to Lewis base catalysts. Catalysts, catalyst systems, and processes of the present disclosure can provide high temperature ethylene polymerization, propylene polymerization, or copolymerization as the Lewis base catalysts can be stable at high polymerization temperatures and have good activity at the high polymerization temperatures. The stable catalysts with good activity can provide formation of polymers having high melting points, high isotacticity, and controllable molecular weights, and the ability to make an increased amount of polymer in a given reactor, as compared to conventional catalysts. Hence, the present disclosure demonstrates highly active catalysts capable of operating at high reactor temperatures while producing polymers with controlled molecular weights and or robust isotacticity.

  本公开涉及路易斯碱催化剂。本公开的催化剂、催化剂体系和工艺可提供高温乙烯聚合、丙烯聚合或共聚合，因为路易斯碱催化剂可在高聚合温度下保持稳定，并在高聚合温度下具有良好的活性。与传统催化剂相比，具有良好活性的稳定催化剂可形成具有高熔点、高异构性和可控分子量的聚合物，并能在给定反应器中制造更多数量的聚合物。因此，本公开展示了高活性催化剂，这种催化剂能够在反应器高温下运行，同时生产出分子量可控的聚合物，或具有较强的等活度。
• Transition metal bis(phenolate) complexes and their use as catalysts for olefin polymerization
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US11254763B2

  公开（公告）日：2022-02-22

  This invention relates to transition metal complexes of a dianionic, tridentate ligand that features a central neutral heterocyclic Lewis base and two phenolate donors, where the tridentate ligand coordinates to the metal center to form two eight-membered rings. Preferably the bis(phenolate) complexes are represented by Formula (I): where M, L, X, m, n, E, E′, Q, R1, R2, R3, R4, R1′, R2′, R3′, R4′, A1, A1′, are as defined herein, where A1QA1′ are part of a heterocyclic Lewis base containing 4 to 40 non-hydrogen atoms that links A2 to A2′ via a 3-atom bridge with Q being the central atom of the 3-atom bridge.

  本发明涉及二阴离子三叉配体的过渡金属配合物，该配体具有一个中心中性杂环路易斯碱和两个苯酚供体，其中三叉配体与金属中心配位形成两个八元环。双（苯酚）配合物最好用式 (I) 表示： 式中 M、L、X、m、n、E、E′、Q、R1、R2、R3、R4、R1′、R2′、R3′、R4′、A1、A1′、 如本文所定义，其中 A1QA1′ 是含有 4 至 40 个非氢原子的杂环路易斯碱的一部分，该路易斯碱通过 3 原子桥将 A2 与 A2′ 连接起来，Q 是 3 原子桥的中心原子。
• Synthesis and structures of adamantyl-substituted constrained geometry cyclopentadienyl–phenoxytitanium complexes and their catalytic properties for olefin polymerization
  作者：Jincai Li、Wei Gao、Qiaolin Wu、Hongchun Li、Ying Mu

  DOI：10.1016/j.jorganchem.2011.03.041

  日期：2011.7

  A number of new constrained geometry titanium complexes, [eta(5): eta(1)-2-C5Me4-4-R-6-Ad-C6H2O]TiCl2 [Ad = adamantyl, R = Me (8), Bu-t (9)] and [eta(5): eta(1)-C5H2Ph2-4-Bu-t-6-Ad-C6H2O]TiCl2 (10), were synthesized from reactions of TiCl4 either directly with corresponding free ligands, 2-C5Me4H-4-R-6-Ad-C6H2OH [R = Me (5), Bu-t (6)], or with the dilithium salt of the free ligand 2-C5H3Ph2-4-Bu-t-6-Ad-C6H2OH (7). These new titanium complexes were fully characterized by H-1 and C-13 NMR spectroscopy and elemental analyses, and the molecular structures of 8 and 9 were determined by single-crystal X-ray crystallography. Upon activation with (AlBu3)-Bu-i and Ph3CB(C6F5)(4) (TIBA/B), these complexes exhibit high catalytic activity for 5-ethylidene-2-norbornene (ENB) polymerization as well as ethylene/1-hexene and ethylene/ENB copolymerization with good tacticity-control ability for the ENB polymerization and high comonomer incorporation ability for the copolymerization reactions. It was found that the bulky adamantyl substituent at the ortho position of the phenoxy group in the ligands of these complexes apparently influences the molecular weight and the microstructure of the resultant polymers. (C) 2011 Elsevier B.V. All rights reserved.