(Z)-α-(p-methoxyphenyl)-β-(2-pyrrolyl)acrylonitrile | 95187-58-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (Z)-α-(p-methoxyphenyl)-β-(2-pyrrolyl)acrylonitrile
• 英文别名: (Z)-2-(4-methoxyphenyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
• CAS: 95187-58-9
• 化学式: C₁₄H₁₂N₂O
• 分子量: 224.262
• InChiKey: FKJNGXZMCUCURB-FMIVXFBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  48.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-吡咯甲醛 、 对甲氧基苯乙腈 在 苄基三甲基氢氧化铵 作用下， 以 水 为溶剂， 生成 (Z)-α-(p-methoxyphenyl)-β-(2-pyrrolyl)acrylonitrile
  参考文献：
  名称：

  Discovery of (Z)-2-phenyl-3-(1H-pyrrol-2-yl)acrylonitrile derivatives active against Haemonchus contortus and Ctenocephalides felis (cat flea)

  摘要：

  A series of 2-phenyl-3-(1H-pyrrol-2-yl)acrylonitrile derivatives were synthesized and evaluated for in vitro activity against the endoparasite Haemonchus contortus and the ectoparasite Ctenocephalidesfells. Some compounds had significant in vitro activity against these parasites. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.043

文献信息

• Alberghina, Gaetano; Amato, Maria Emanuela; Bottino, Francesco Agatino, Journal of Heterocyclic Chemistry, 1986, vol. 23, p. 1747 - 1752
  作者：Alberghina, Gaetano、Amato, Maria Emanuela、Bottino, Francesco Agatino、Corsaro, Antonino、Fisichella, Salvatore

  DOI：——

  日期：——
• Discovery of (Z)-2-phenyl-3-(1H-pyrrol-2-yl)acrylonitrile derivatives active against Haemonchus contortus and Ctenocephalides felis (cat flea)
  作者：Abdelselam Ali、Marianne Bliese、Jo-Anne M. Rasmussen、Roger M. Sargent、Simon Saubern、David G. Sawutz、John S. Wilkie、David A. Winkler、Kevin N. Winzenberg、Ruth C.J. Woodgate

  DOI：10.1016/j.bmcl.2006.11.043

  日期：2007.2

  A series of 2-phenyl-3-(1H-pyrrol-2-yl)acrylonitrile derivatives were synthesized and evaluated for in vitro activity against the endoparasite Haemonchus contortus and the ectoparasite Ctenocephalidesfells. Some compounds had significant in vitro activity against these parasites. (c) 2006 Elsevier Ltd. All rights reserved.