2-(Allylamino)-N-butylbenzamide | 1380589-77-4

• 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: 2-(Allylamino)-N-butylbenzamide
• 英文别名: N-butyl-2-(prop-2-enylamino)benzamide
• CAS: 1380589-77-4
• 化学式: C₁₄H₂₀N₂O
• 分子量: 232.326
• InChiKey: ULZACASVIQQGSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  溴化氰 、 2-(Allylamino)-N-butylbenzamide 在 二甲基亚砜 、 1,3-bis-n-butylimidazolium bromide 作用下， 以94%的产率得到1-allyl-3-butyl-2,3-dihydro-2-iminoquinazolin-4(1H)-one
  参考文献：
  名称：

  A facile IL–DMSO assisted synthesis of 5-, 6-, and 7-membered benzo-annelated cyclic guanidines

  摘要：

  A new and facile IL-DMSO assisted method has been developed for the synthesis of biologically important cyclic guanidines like 2-aminobenzimidazole, 2-imino-4-quinazolinone, and 2-imino-5-benzotriazepinones at ambient temperatures. The desired products could be obtained by microwave irradiation(32) also, but at elevated temperatures. A plausible mechanism for catalysis has been proposed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.060
• 作为产物：
  描述：

  靛红酸酐 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基乙酰胺 、 二甲基亚砜 为溶剂， 生成 2-(Allylamino)-N-butylbenzamide
  参考文献：
  名称：

  Novel 2-Aminobenzamides as Potential Orally Active Antithrombotic Agents

  摘要：

  In an effort to develop potent antithrombotic agents, a series of novel 2-aminobenzamide derivatives were synthesized and screened for their in vivo antithrombotic activity. Among the 23 compounds tested, compound (8g) showed the most promising antithrombotic activity, which was comparable with clinically used aspirin or warfarin, but at variance with these standard drugs, 8g did not exhibit the increased bleeding time, suggesting its potential as a novel antithrombotic agent.

  DOI：

  10.1021/ml300217f