methyl (Z)-3-(benzylamino)-3-(4-toluidino)-2-propenoate

• 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: methyl (Z)-3-(benzylamino)-3-(4-toluidino)-2-propenoate
• 英文别名: methyl (Z)-3-(benzylamino)-3-(4-methylanilino)prop-2-enoate
• 化学式: C₁₈H₂₀N₂O₂
• 分子量: 296.369
• InChiKey: ZMNWEZTVTNEBKQ-ATVHPVEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  、 乙酸甲酯 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以63%的产率得到methyl (Z)-3-(benzylamino)-3-(4-toluidino)-2-propenoate
  参考文献：
  名称：

  C-Aminoimidoylation and C-Thiocarbamoylation of Esters, Sulfones, and Ketones

  摘要：

  Esters, sulfones, and ketones were C-aminoimidoylated and C-thiocarbamoylated by benzotriazole-1-carboxamidines 8a-g and 1-(alkyl-or-arylthiocarbamoyl)benzotriazoles 9a-i, respectively. The present work represents the first systematic approach to these compound classes, the few previously known examples of which were obtained by diverse approaches.

  DOI：

  10.1021/jo070545c

文献信息

• C-Aminoimidoylation and C-Thiocarbamoylation of Esters, Sulfones, and Ketones
  作者：Alan R. Katritzky、Niveen M. Khashab、Danniebelle N. Haase、Megumi Yoshioka、Ion Ghiviriga、Peter J. Steel

  DOI：10.1021/jo070545c

  日期：2007.8.31

  Esters, sulfones, and ketones were C-aminoimidoylated and C-thiocarbamoylated by benzotriazole-1-carboxamidines 8a-g and 1-(alkyl-or-arylthiocarbamoyl)benzotriazoles 9a-i, respectively. The present work represents the first systematic approach to these compound classes, the few previously known examples of which were obtained by diverse approaches.