(2E,2'E)-3,3'-(piperazine-1,4-diyl)-bis{N-(2-cyclohexylamino)-2-[oxo-1-phenylethyl-N-phenyl]acrylamide} | 1233881-37-2

• 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: (2E,2'E)-3,3'-(piperazine-1,4-diyl)-bis{N-(2-cyclohexylamino)-2-[oxo-1-phenylethyl-N-phenyl]acrylamide}
• 英文别名: (E)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-3-[4-[(E)-3-(N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]anilino)-3-oxoprop-1-enyl]piperazin-1-yl]-N-phenylprop-2-enamide
• CAS: 1233881-37-2
• 化学式: C₅₀H₅₈N₆O₄
• 分子量: 807.048
• InChiKey: HJXGRUYSWNFUMS-FMWAKIAMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  60
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  哌嗪 、 异氰环已烷 、 苯甲醛 、 苯胺 、 丙炔酸 以 甲醇 为溶剂， 反应 2.25h， 以90%的产率得到(2E,2'E)-3,3'-(piperazine-1,4-diyl)-bis{N-(2-cyclohexylamino)-2-[oxo-1-phenylethyl-N-phenyl]acrylamide}
  参考文献：
  名称：

  Efficient synthesis of 1,4-disubstituted polyfunctional piperazines via a sequential one-pot Ugi/nucleophilic addition five-component reaction

  摘要：

  Polyfunctional 1,4-disubstituted piperazines were successfully synthesized stereoselectively via a one-pot, five-component Ugi/nucleophilic addition reaction sequence. Regio- and stereo-selective addition of piperazine to an activated alkyne under catalyst-free conditions and high yields of products are advantages of this method. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.04.054

文献信息

• Efficient synthesis of 1,4-disubstituted polyfunctional piperazines via a sequential one-pot Ugi/nucleophilic addition five-component reaction
  作者：Morteza Bararjanian、Saeed Balalaie、Barahman Movassagh、Hamid Reza Bijanzadeh

  DOI：10.1016/j.tetlet.2010.04.054

  日期：2010.6

  Polyfunctional 1,4-disubstituted piperazines were successfully synthesized stereoselectively via a one-pot, five-component Ugi/nucleophilic addition reaction sequence. Regio- and stereo-selective addition of piperazine to an activated alkyne under catalyst-free conditions and high yields of products are advantages of this method. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.