4-methoxy-N-(2-phenoxyethyl)aniline | 61040-68-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-methoxy-N-(2-phenoxyethyl)aniline
• CAS: 61040-68-4
• 化学式: C₁₅H₁₇NO₂
• mdl: MFCD03210886
• 分子量: 243.305
• InChiKey: PIUBWPLWXHMUEP-UHFFFAOYSA-N

物化性质

• 沸点：
  413.5±30.0 °C(Predicted)
• 密度：
  1.117±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-溴苯甲醚 、 2-苯氧基乙胺 在 5,5-dimethyl-1,9-(PPh₂)2-xanthene 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 生成 4-methoxy-N-(2-phenoxyethyl)aniline
  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

• A Simple Method for N-Phenoxyethylation of Anilines
  作者：G. Romanelli、J. Jios、O. Guaymas、R. Piovoso、J. Autino

  DOI：10.3390/50300562

  日期：——

  title compounds, to be checked later in novel syntheses of heterocyclic compounds. To the best of our knowledge, there was no report in the literature of any well-established method for the preparation of N-(2-phenoxyethyl)anilines 1.

  我们想寻找新的反应条件来制备标题化合物，以便稍后在杂环化合物的新合成中进行检查。据我们所知，文献中没有关于制备 N-（2-苯氧基乙基）苯胺 1 的任何成熟方法的报道。
• Autino, Juan C.; Bruzzone, Liliana; Romanelli, Gustavo P., Anales de Quimica, 1998, vol. 94, # 4-5, p. 292 - 294
  作者：Autino, Juan C.、Bruzzone, Liliana、Romanelli, Gustavo P.、Jios, Jorge L.、Ancinas, Horacio A.

  DOI：——

  日期：——
• 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
  作者：Thomas R. Boussie、Gary M. Diamond、Christopher Goh、Keith A. Hall、Anne M. LaPointe、Margarete Leclerc、Cheryl Lund、Vince Murphy、James A. W. Shoemaker、Ursula Tracht、Howard Turner、Jessica Zhang、Tetsuo Uno、Robert K. Rosen、James C. Stevens

  DOI：10.1021/ja020868k

  日期：2003.4.1

  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.