N-benzyl-2-[2-iodo-N-(3-phenylprop-2-ynoyl)anilino]-4-methylpentanamide | 1332647-15-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-benzyl-2-[2-iodo-N-(3-phenylprop-2-ynoyl)anilino]-4-methylpentanamide
• CAS: 1332647-15-0
• 化学式: C₂₈H₂₇IN₂O₂
• 分子量: 550.439
• InChiKey: GCGFBRHBLDFHQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-benzyl-2-[2-iodo-N-(3-phenylprop-2-ynoyl)anilino]-4-methylpentanamide 、 4-氟苯胺 在 palladium diacetate 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 甲苯 为溶剂， 反应 7.0h， 以96%的产率得到2-((Z)-3-((4-fluorophenylamino)(phenyl)methylene)-2-oxoindolin-1-yl)-N-benzyl-4-methylpentanamide
  参考文献：
  名称：

  Palladium catalyzed stereoselective synthesis of 3-(anilinoarylmethylene)-2-oxindoles as Hesperadin analogoues

  摘要：

  Potentially bioactive 3-(anilinoarylmethylene)-2-oxindoles as Hesperadin analogoues have been synthesized via a two-step procedure: (a) an Ugi-4MCR and (b) reaction of the Ugi adduct with aniline in the presence of a palladium catalyst via domino Heck/Buchwald reaction. In all cases, a single isomer with the Z-configuration was obtained in good to high yields. Crown Copyright (C) 2011 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.02.005
• 作为产物：
  描述：

  苄异腈 、 2-碘苯胺 、 苯丙炔酸 、 异戊醛 以 甲醇 为溶剂， 反应 24.75h， 生成 N-benzyl-2-[2-iodo-N-(3-phenylprop-2-ynoyl)anilino]-4-methylpentanamide
  参考文献：
  名称：

  Palladium catalyzed stereoselective synthesis of 3-(anilinoarylmethylene)-2-oxindoles as Hesperadin analogoues

  摘要：

  Potentially bioactive 3-(anilinoarylmethylene)-2-oxindoles as Hesperadin analogoues have been synthesized via a two-step procedure: (a) an Ugi-4MCR and (b) reaction of the Ugi adduct with aniline in the presence of a palladium catalyst via domino Heck/Buchwald reaction. In all cases, a single isomer with the Z-configuration was obtained in good to high yields. Crown Copyright (C) 2011 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.02.005