N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylaniline | 1036464-98-8

• 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: N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylaniline
• CAS: 1036464-98-8
• 化学式: C₁₉H₂₅NO
• 分子量: 283.414
• InChiKey: WAIKKYWSFQIODP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-异丙基苯胺 、 4-乙氧基苯乙烯 在 Zn-Co double metal cyanide 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以8%的产率得到N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylaniline
  参考文献：
  名称：

  Zn–Co Double Metal Cyanides as Heterogeneous Catalysts for Hydroamination: A Structure–Activity Relationship

  摘要：

  Zn-Co double metal cyanide (DMC) materials are effective heterogeneous catalysts for intermolecular hydroaminations. Using the reaction of 4-isopropylaniline with phenylacetylene as a test, the effect of different catalyst synthesis procedures on the catalytic performance is examined. The best activities are observed for double metal cyanides with a cubic structure and prepared with a Zn2+ excess, and for nanosized particles prepared via a reverse emulsion synthesis. Detailed study of the active Zn2+ sites in the cubic material by EXAFS gives evidence for coordinative vacancies around the Zn, with four cyanide ligands in close proximity of the Zn. The substrate scope of the hydroaminations was successfully expanded to both aromatic and aliphatic alkynes and other aromatic and aliphatic amines. Even with styrenes the reaction proceeded with aromatic amines. The DMC catalysts are truly heterogeneous, possess a high thermal stability and are perfectly reusable.

  DOI：

  10.1021/cs300805z

文献信息

• Zn–Co Double Metal Cyanides as Heterogeneous Catalysts for Hydroamination: A Structure–Activity Relationship
  作者：Annelies Peeters、Pieterjan Valvekens、Rob Ameloot、Gopinathan Sankar、Christine E. A. Kirschhock、Dirk E. De Vos

  DOI：10.1021/cs300805z

  日期：2013.4.5

  Zn-Co double metal cyanide (DMC) materials are effective heterogeneous catalysts for intermolecular hydroaminations. Using the reaction of 4-isopropylaniline with phenylacetylene as a test, the effect of different catalyst synthesis procedures on the catalytic performance is examined. The best activities are observed for double metal cyanides with a cubic structure and prepared with a Zn2+ excess, and for nanosized particles prepared via a reverse emulsion synthesis. Detailed study of the active Zn2+ sites in the cubic material by EXAFS gives evidence for coordinative vacancies around the Zn, with four cyanide ligands in close proximity of the Zn. The substrate scope of the hydroaminations was successfully expanded to both aromatic and aliphatic alkynes and other aromatic and aliphatic amines. Even with styrenes the reaction proceeded with aromatic amines. The DMC catalysts are truly heterogeneous, possess a high thermal stability and are perfectly reusable.