N-{(1Z)-3-[(butan-2-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl}benzamide

• 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-{(1Z)-3-[(butan-2-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl}benzamide
• 英文别名: N-[(Z)-3-(butan-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
• 化学式: C₂₀H₂₂N₂O₂
• 分子量: 322.407
• InChiKey: TVVUKWXFLTWYCZ-JXAWBTAJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-{(1Z)-3-[(butan-2-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl}benzamide 在 三氯氧磷 作用下， 以 甲苯 为溶剂， 以80%的产率得到(4Z,5Z)-4-benzylidene-N-(butan-2-yl)-2-phenyl-1,3-oxazol-5(4H)-imine
  参考文献：
  名称：

  Synthesis of 4-benzylidene-oxazol-5(4H)-imines, structural analogs of PK11195, under Bischler-Napieralski conditions

  摘要：

  A simple and convenient one-pot procedure to prepare 4-benzylidene-2-aryl-1,3-oxazol-5(4H)-imines from phenyl pyruvic acid and a series of arylamides, under classical Bischler-Napieralski (B-N) conditions and microwave heating (MW) has been developed. The structures of the prepared compounds were unambiguously assigned through single crystal X-ray diffraction studies. The compounds thus prepared can be used to synthesize bioactive compounds with different molecular architectures. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2017.01.047
• 作为产物：
  描述：

  苯丙酮酸 、 苯甲酰胺 在 对甲苯磺酸 、 三乙胺 、 三氯氧磷 作用下， 以 甲苯 为溶剂， 反应 3.33h， 以95%的产率得到N-{(1Z)-3-[(butan-2-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl}benzamide
  参考文献：
  名称：

  Synthesis of 4-benzylidene-oxazol-5(4H)-imines, structural analogs of PK11195, under Bischler-Napieralski conditions

  摘要：

  A simple and convenient one-pot procedure to prepare 4-benzylidene-2-aryl-1,3-oxazol-5(4H)-imines from phenyl pyruvic acid and a series of arylamides, under classical Bischler-Napieralski (B-N) conditions and microwave heating (MW) has been developed. The structures of the prepared compounds were unambiguously assigned through single crystal X-ray diffraction studies. The compounds thus prepared can be used to synthesize bioactive compounds with different molecular architectures. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2017.01.047

文献信息

• Synthesis of 4-benzylidene-oxazol-5(4H)-imines, structural analogs of PK11195, under Bischler-Napieralski conditions
  作者：Marco A. Almaraz-Girón、Alfredo Vázquez

  DOI：10.1016/j.tetlet.2017.01.047

  日期：2017.2

  A simple and convenient one-pot procedure to prepare 4-benzylidene-2-aryl-1,3-oxazol-5(4H)-imines from phenyl pyruvic acid and a series of arylamides, under classical Bischler-Napieralski (B-N) conditions and microwave heating (MW) has been developed. The structures of the prepared compounds were unambiguously assigned through single crystal X-ray diffraction studies. The compounds thus prepared can be used to synthesize bioactive compounds with different molecular architectures. (C) 2017 Elsevier Ltd. All rights reserved.