5-Methoxy-2-[2-(4-methylphenyl)ethynyl]aniline | 1037493-21-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-Methoxy-2-[2-(4-methylphenyl)ethynyl]aniline
• 英文别名: 5-methoxy-2-[2-(4-methylphenyl)ethynyl]aniline
• CAS: 1037493-21-2
• 化学式: C₁₆H₁₅NO
• 分子量: 237.301
• InChiKey: FLNFLOUOXWTJOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-methoxy-2-nitro-1-(p-tolylethynyl)benzene 在 indium(III) chloride 、 indium 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以83%的产率得到5-Methoxy-2-[2-(4-methylphenyl)ethynyl]aniline
  参考文献：
  名称：

  Indium-HI-mediated one-pot reaction of 1-(2-arylethynyl)-2-nitroarenes to 2-arylindoles

  摘要：

  While 1-(2-arylethynyl)-2-nitroarenes were reduced to 2-(2-arylethynyl)anilines in the presence of indium and InCl3 in THF/H2O (v/v = 5/1) at 50 degrees C, 1-(2-arylethynyl)-2-nitroarenes were reductively cyclized to 2-arylindoles with good yields in the presence of indium and aqueous HI in benzene. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.032

文献信息

• Hydrophilic compounds for optically active devices
  申请人：MERCK PATENT GMBH

  公开号：US11014900B2

  公开（公告）日：2021-05-25

  The present invention relates to novel compounds, particularly to compounds comprising a photoactive unit, said novel compounds being particularly suitable for compositions and ophthalmic devices as well as to compositions and ophthalmic devices comprising such compounds.

  本发明涉及新型化合物，特别是包含光活性单元的化合物，所述新型化合物尤其适用于组合物和眼科设备，以及包含此类化合物的组合物和眼科设备。
• HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES
  申请人：MERCK PATENT GMBH

  公开号：US20200231559A1

  公开（公告）日：2020-07-23

  The present invention relates to novel compounds, particularly to compounds comprising a photoactive unit, said novel compounds being particularly suitable for compositions and ophthalmic devices as well as to compositions and ophthalmic devices comprising such compounds.
• Indium-HI-mediated one-pot reaction of 1-(2-arylethynyl)-2-nitroarenes to 2-arylindoles
  作者：Ji Sook Kim、Joon Hee Han、Jung June Lee、Young Moo Jun、Byung Min Lee、Byeong Hyo Kim

  DOI：10.1016/j.tetlet.2008.04.032

  日期：2008.6

  While 1-(2-arylethynyl)-2-nitroarenes were reduced to 2-(2-arylethynyl)anilines in the presence of indium and InCl3 in THF/H2O (v/v = 5/1) at 50 degrees C, 1-(2-arylethynyl)-2-nitroarenes were reductively cyclized to 2-arylindoles with good yields in the presence of indium and aqueous HI in benzene. (C) 2008 Elsevier Ltd. All rights reserved.