2-(adamantan-1-yl)-6-bromo-4-(tert-butyl)phenol | 62778-85-2

• 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-(adamantan-1-yl)-6-bromo-4-(tert-butyl)phenol
• 英文别名: 6-Brom-2-adamant-1-yl-4-tert.-butylphenol；2-bromo-4-tert-butyl-6-adamantylphenol；2-(1-Adamantyl)-6-bromo-4-tert-butylphenol
• CAS: 62778-85-2
• 化学式: C₂₀H₂₇BrO
• 分子量: 363.338
• InChiKey: JEUVVGIDFXCIPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.7
• 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-(adamantan-1-yl)-6-bromo-4-(tert-butyl)phenol 在 正丁基锂 、 sodium hydride 作用下， 以 四氢呋喃 、 正己烷 、 mineral oil 为溶剂， 反应 2.33h， 生成 2-(3-adamantan-1-yl)-5-(tert-butyl)-2-((methoxymethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  参考文献：
  名称：

  Supported Transition Metal Bis(Phenolate) Complexes and Their Use as Catalysts for Olefin Polymerization

  摘要：

  该发明涉及一种过渡金属配合物的支持催化剂组合物，该配合物包括一种双阴离子、三牙配体，其具有一个中性杂环路易斯碱和两个酚醇供体，其中该三牙配体与金属中心配位形成两个八元环。优选的双(酚醇)配合物由式(I)表示：其中M、L、X、m、n、E、E'、Q、R1、R2、R3、R4、R1'、R2'、R3'、R4'、A1、A1'、A3A2和A2'A3'如本文所定义，其中A1QA1'是包含4至40个非氢原子的杂环路易斯碱的一部分，通过Q作为3原子桥连接A2和A2'，形成A2到A2'的连接。

  公开号：

  US20200255561A1
• 作为产物：
  描述：

  2-(adamantan-1-yl)-4-(tert-butyl)phenol 在 溴 作用下， 以 氯仿 为溶剂， 反应 0.5h， 以97%的产率得到2-(adamantan-1-yl)-6-bromo-4-(tert-butyl)phenol
  参考文献：
  名称：

  Supported Transition Metal Bis(Phenolate) Complexes and Their Use as Catalysts for Olefin Polymerization

  摘要：

  该发明涉及一种过渡金属配合物的支持催化剂组合物，该配合物包括一种双阴离子、三牙配体，其具有一个中性杂环路易斯碱和两个酚醇供体，其中该三牙配体与金属中心配位形成两个八元环。优选的双(酚醇)配合物由式(I)表示：其中M、L、X、m、n、E、E'、Q、R1、R2、R3、R4、R1'、R2'、R3'、R4'、A1、A1'、A3A2和A2'A3'如本文所定义，其中A1QA1'是包含4至40个非氢原子的杂环路易斯碱的一部分，通过Q作为3原子桥连接A2和A2'，形成A2到A2'的连接。

  公开号：

  US20200255561A1

文献信息

• Supported transition metal bis(phenolate) complexes and their use as catalysts for olefin polymerization
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US11225539B2

  公开（公告）日：2022-01-18

  This invention relates to supported catalyst compositions of 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′, A3A2, and A2′A3′ 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络合物的支撑催化剂组合物，该二阴离子三叉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： 其中 M、L、X、m、n、E、E′、Q、R1、R2、R3、R4、R1′、R2′、R3′、R4′、A1、A1′、A3A2 和 A2′A3′ 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，该杂环路易斯碱通过3原子桥将A2和A2′连接起来，Q是3原子桥的中心原子。
• 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.
• TRANSITION METAL BIS(PHENOLATE) COMPLEXES AND THEIR USE AS CATALYSTS FOR OLEFIN POLYMERIZATION
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：EP3924394A1

  公开（公告）日：2021-12-22
• ETHYLENE-ALPHA-OLEFIN-DIENE MONOMER COPOLYMERS OBTAINED USING TRANSITION METAL BIS(PHENOLATE) CATALYST COMPLEXES AND HOMOGENEOUS PROCESS FOR PRODUCTION THEREOF
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：EP4103631A1

  公开（公告）日：2022-12-21