N-hexyl-N-(1-phenylethyl)aniline | 1260401-31-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-hexyl-N-(1-phenylethyl)aniline
• CAS: 1260401-31-7
• 化学式: C₂₀H₂₇N
• 分子量: 281.441
• InChiKey: PIRKGGZRAWICOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-hexyl-N-(1-phenylethyl)aniline 在 哌啶 、 三氯氧磷 作用下， 以 乙腈 为溶剂， 反应 8.0h， 生成 (E)-2-(3-(4-(hexyl(1-phenylethyl)amino)styryl)-5,5-dimethylcyclohex-2-enylidene)malononitrile
  参考文献：
  名称：

  Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.

  摘要：

  A series of near-infrared solid-state emitters based on the dicyanoisophorone electron acceptor group was synthesized. The solid-state spectroscopic properties were studied by UV-visible absorption spectroscopy and fluorescence spectroscopy and analyzed in light of the single crystal structures obtained by X-ray diffraction. This series of push-pull dipolar fluorophores differing only by the substituent groups on the donor end display interesting solid-state emission properties on crystal with an emission in the near-infrared ranging from 710 to 790 nm. The origin of the emission depends on the nature of the substituent groups that influence the crystal packing and trigger the formation of long chain of emitting aggregates.

  DOI：

  10.1021/cm102165r
• 作为产物：
  描述：

  α-苯乙胺 在 copper(l) iodide 、 sodium carbonate 、 potassium carbonate 、 L-脯氨酸 、 sodium iodide 作用下， 以 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 40.0h， 生成 N-hexyl-N-(1-phenylethyl)aniline
  参考文献：
  名称：

  Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.

  摘要：

  A series of near-infrared solid-state emitters based on the dicyanoisophorone electron acceptor group was synthesized. The solid-state spectroscopic properties were studied by UV-visible absorption spectroscopy and fluorescence spectroscopy and analyzed in light of the single crystal structures obtained by X-ray diffraction. This series of push-pull dipolar fluorophores differing only by the substituent groups on the donor end display interesting solid-state emission properties on crystal with an emission in the near-infrared ranging from 710 to 790 nm. The origin of the emission depends on the nature of the substituent groups that influence the crystal packing and trigger the formation of long chain of emitting aggregates.

  DOI：

  10.1021/cm102165r

文献信息

• Traceless Benzylic C−H Amination via Bifunctional <i>N</i> ‐Aminopyridinium Intermediates
  作者：Pritam Roychowdhury、Roberto G. Herrera、Hao Tan、David C. Powers

  DOI：10.1002/anie.202200665

  日期：2022.7.11

  C−H amination chemistry via traceless bifunctional nitrogen activation is reported. Sequential C−H aminopyridylation followed by Ni-catalyzed cross-coupling with aryl boronic acids affords the products of aryl nitrene insertion into C−H bonds. These products are unavailable by direct nitrene insertion due to the intrinsic instability of aryl nitrenes. The described method can be applied in the context

  据报道，通过无痕双功能氮活化进行 C−H 胺化化学。依次进行 CH 氨基吡啶化，然后进行镍催化与芳基硼酸的交叉偶联，得到芳基氮烯插入 CH 键的产物。由于芳基氮烯固有的不稳定性，这些产品无法通过直接氮烯插入获得。所描述的方法可以应用于药理学活性分子的背景下。