1-[4-(phenylethynyl)phenyl]cyclopropane carboxamide | 54737-78-9

• 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: 1-[4-(phenylethynyl)phenyl]cyclopropane carboxamide
• 英文别名: 1-<4-(Phenylethynyl)-phenyl>-cyclopropanecarboxamid；1-[4-(Phenylethynyl)-phenyl]-cyclopropanecarboxamid；1-[4-(Phenylethynyl)phenyl]cyclopropane-1-carboxamide；1-[4-(2-phenylethynyl)phenyl]cyclopropane-1-carboxamide
• CAS: 54737-78-9
• 化学式: C₁₈H₁₅NO
• 分子量: 261.323
• InChiKey: UVIWXHMXMFOKSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-[4-(phenylethynyl)phenyl]cyclopropane carboxamide 在 sodium hydroxide 作用下， 生成 N-Benzyloxycarbonyl-1-<4-(phenylethinyl)-phenyl>-cyclopropylamin
  参考文献：
  名称：

  Antiarrhythmic agents. 2-, 3-, and 4-Substituted benzylamines

  摘要：

  The synthesis of a series of 2-, 3-, and 4-substituted benzylamine derivatives is described. These compounds were studied for their effect on experimental cardiac arrhythmias. Many of the derivatives, but in particular 2-(p-methoxyphenylethynyl)benzylamine (3d), alpha,alpha-dimethyl-4y(phenylethynyl)benzylamine (7a), and alpha,alpha-dimethyl-4-phenethylbenzylamine (12g), showed good antiarrhythmic activity.

  DOI：

  10.1021/jm00236a006
• 作为产物：
  描述：

  4-(phenylethynyl)-benzyl chloride 在 氢氧化钾 、 双氧水 作用下， 以 二甲基亚砜 为溶剂， 生成 1-[4-(phenylethynyl)phenyl]cyclopropane carboxamide
  参考文献：
  名称：

  Antiarrhythmic agents. 2-, 3-, and 4-Substituted benzylamines

  摘要：

  The synthesis of a series of 2-, 3-, and 4-substituted benzylamine derivatives is described. These compounds were studied for their effect on experimental cardiac arrhythmias. Many of the derivatives, but in particular 2-(p-methoxyphenylethynyl)benzylamine (3d), alpha,alpha-dimethyl-4y(phenylethynyl)benzylamine (7a), and alpha,alpha-dimethyl-4-phenethylbenzylamine (12g), showed good antiarrhythmic activity.

  DOI：

  10.1021/jm00236a006

文献信息

• US4042584A
  申请人：——

  公开号：US4042584A

  公开（公告）日：1977-08-16
• Antiarrhythmic agents. 2-, 3-, and 4-Substituted benzylamines
  作者：David C. Remy、William A. Van Saun、Edward L. Engelhardt、Mary L. Torchiana、Clement A. Stone

  DOI：10.1021/jm00236a006

  日期：1975.2

  The synthesis of a series of 2-, 3-, and 4-substituted benzylamine derivatives is described. These compounds were studied for their effect on experimental cardiac arrhythmias. Many of the derivatives, but in particular 2-(p-methoxyphenylethynyl)benzylamine (3d), alpha,alpha-dimethyl-4y(phenylethynyl)benzylamine (7a), and alpha,alpha-dimethyl-4-phenethylbenzylamine (12g), showed good antiarrhythmic activity.