(tetrahydrofuran-2-ylmethyl)-(2,6-diisopropylphenyl)-amine | 219838-90-1

• 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: (tetrahydrofuran-2-ylmethyl)-(2,6-diisopropylphenyl)-amine
• 英文别名: N-(oxolan-2-ylmethyl)-2,6-di(propan-2-yl)aniline
• CAS: 219838-90-1
• 化学式: C₁₇H₂₇NO
• 分子量: 261.407
• InChiKey: VVHFBEMAPAOWTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tetra(benzyl)hafnium 、 (tetrahydrofuran-2-ylmethyl)-(2,6-diisopropylphenyl)-amine 以 甲苯 为溶剂， 以70%的产率得到[η2-(N,O)-(C4H7O-2-CH2)(2,6-(i-Pr)2C6H3)N]Hf(CH2Ph)3
  参考文献：
  名称：

  A Fully Integrated High-Throughput Screening Methodology for the Discovery of New Polyolefin Catalysts:  Discovery of a New Class of High Temperature Single-Site Group (IV) Copolymerization Catalysts

  摘要：

  For the first time, new catalysts for olefin polymerization have been discovered through the application of fully integrated high-throughput primary and secondary screening techniques supported by rapid polymer characterization methods. Microscale 1-octene primary screening polymerization experiments combining arrays of ligands with reactive metal complexes M(CH2Ph)(4) (M = Zr, Hf) and multiple activation conditions represent a new high-throughput technique for discovering novel group (IV) polymerization catalysts. The primary screening methods described here have been validated using a commercially relevant polyolefin catalyst, and implemented rapidly to discover the new amide-ether based hafnium catalyst [eta(2)-(N,O)-(2-MeO-C6H4)(2,4,6-Me3C6H2)N]Hf(CH2Ph)(3) (1), which is capable of polymerizing 1-octene to high conversion. The molecular structure of I has been determined by X-ray diffraction. Larger scale secondary screening experiments performed on a focused 96-member amine-ether library demonstrated the versatile high temperature ethylene-1-octene copolymerization capabilities of this catalyst class, and led to significant performance improvements over the initial primary screening discovery. Conventional one gallon batch reactor copolymerizations performed using selected amide-ether hafnium compounds confirmed the performance features of this new catalyst class, serving to fully validate the experimental results from the high-throughput approaches described herein.

  DOI：

  10.1021/ja020868k
• 作为产物：
  描述：

  2-四氢糠胺 、 2-溴-1,3-二异丙基苯 在 [2-(2-methyl-1,3-dioxolan-2-yl)phenyl]diphenylphosphine 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 48.0h， 生成 (tetrahydrofuran-2-ylmethyl)-(2,6-diisopropylphenyl)-amine
  参考文献：
  名称：

  A Fully Integrated High-Throughput Screening Methodology for the Discovery of New Polyolefin Catalysts:  Discovery of a New Class of High Temperature Single-Site Group (IV) Copolymerization Catalysts

  摘要：

  For the first time, new catalysts for olefin polymerization have been discovered through the application of fully integrated high-throughput primary and secondary screening techniques supported by rapid polymer characterization methods. Microscale 1-octene primary screening polymerization experiments combining arrays of ligands with reactive metal complexes M(CH2Ph)(4) (M = Zr, Hf) and multiple activation conditions represent a new high-throughput technique for discovering novel group (IV) polymerization catalysts. The primary screening methods described here have been validated using a commercially relevant polyolefin catalyst, and implemented rapidly to discover the new amide-ether based hafnium catalyst [eta(2)-(N,O)-(2-MeO-C6H4)(2,4,6-Me3C6H2)N]Hf(CH2Ph)(3) (1), which is capable of polymerizing 1-octene to high conversion. The molecular structure of I has been determined by X-ray diffraction. Larger scale secondary screening experiments performed on a focused 96-member amine-ether library demonstrated the versatile high temperature ethylene-1-octene copolymerization capabilities of this catalyst class, and led to significant performance improvements over the initial primary screening discovery. Conventional one gallon batch reactor copolymerizations performed using selected amide-ether hafnium compounds confirmed the performance features of this new catalyst class, serving to fully validate the experimental results from the high-throughput approaches described herein.

  DOI：

  10.1021/ja020868k

文献信息

• Catalyst for the production of olefin polymers
  申请人：——

  公开号：US20020065379A1

  公开（公告）日：2002-05-30

  A catalyst precursor having the formula: A q ML n wherein each A has the formula: 1 M is a metal selected from the group consisting of Group 3 to 13 elements and Lanthanide series elements; each L is a monovalent, bivalent, or trivalent anion; X and Y are each heteroatoms; Cyclo is a cyclic moiety; each R 1 is a group containing 1 to 50 atoms selected from the group consisting of hydrogen and Group 13 to 17 elements, and two or more adjacent R 1 groups may be joined to form a cyclic moiety; each R 2 is a group containing 1 to 50 atoms selected from the group consisting of hydrogen and Group 13 to 17 elements, and two or more adjacent R 2 groups may be joined to form a cyclic moiety; Q is a bridging group; each m is independently an integer from 0 to 5; n is an integer from 1 to 4; q is 1 or 2; and when q is 2, the A groups are optionally connected by a bridging group Z is provided. The catalyst precursor may be made by reacting an organometal compound with a heteroatom-containing ligand. The catalyst precursor, when combined with an activating cocatalyst, is useful for the polymerization of olefins.

  一种催化剂前体，其式如下 A q ML n 其中每个 A 的式子为 1 M 是选自第 3 至 13 族元素和镧系元素的金属； 每个 L 是一价、二价或三价阴离子 X 和 Y 各为杂原子； Cyclo 是环状分子； 每个 R 1 是含有 1 至 50 个原子的基团，选自氢和 13 至 17 族元素组成的组，且两个或多个相邻的 R 1 可连接成一个环状分子； 每个 R 2 是一个含有 1 至 50 个原子的基团，选自氢和 13 至 17 族元素组成的组，两个或多个相邻的 R 2 可连接形成环状分子； Q 是桥基； 每个 m 独立地为 0 至 5 的整数； n 是 1 至 4 的整数； q 是 1 或 2； 当 q 为 2 时，A 基团可选择通过桥基 Z 连接。催化剂前体可通过有机金属化合物与含杂原子配体反应制成。当催化剂前体与活化助催化剂结合时，可用于烯烃的聚合。
• CATALYST FOR THE PRODUCTION OF OLEFIN POLYMERS
  申请人：UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION

  公开号：EP0993464B1

  公开（公告）日：2003-04-16
• US6103657A
  申请人：——

  公开号：US6103657A

  公开（公告）日：2000-08-15
• US6320005B1
  申请人：——

  公开号：US6320005B1

  公开（公告）日：2001-11-20
• US6610627B2
  申请人：——

  公开号：US6610627B2

  公开（公告）日：2003-08-26