1-cyanomethyl-2,3,4,5-tetrahydro-1H-2-benzazepine | 108833-74-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 1-cyanomethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
• 英文别名: 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile
• CAS: 108833-74-5
• 化学式: C₁₂H₁₄N₂
• 分子量: 186.257
• InChiKey: LSOHENMDIFGDKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-cyanomethyl-2,3,4,5-tetrahydro-1H-2-benzazepine 在 lithium aluminium tetrahydride 、 硫酸 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以89%的产率得到2-(2-aminoethyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
  参考文献：
  名称：

  Synthesis of N-(2-Guanidinoethyl)-tetrahydrothieno[3,2-c]azepine, N-(2-Guanidinoethyl)-tetrahydro-2-benzazepine and N-(2-Guanidinoethyl)-tetrahydro-1-benzazepine as Analogous to Antihypertensive Agent Guanetidine

  摘要：

  N-(2-guanidinoethyl)-tetrahydrothieno[3,2-c]azepine (2-guanidinoethyl)-tetrahydro-2-benzazepine 10b tetrahydro-1-benzazepine 10c analogous of Guanetidine were prepared by cyanomethylation of the corresponding azepines, reduction and subsequent guanilation of the resulting aminoethyl derivatives. These compounds were evaluated for antihypertensive activity in SHR rats but no significant activity was observed.

  DOI：

  10.1080/00397919408011191
• 作为产物：
  描述：

  2,3,4,5-四氢-1H-2-苯并氮杂卓 、 氯乙腈 在 sodium carbonate 作用下， 生成 1-cyanomethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
  参考文献：
  名称：

  Synthesis of N-(2-Guanidinoethyl)-tetrahydrothieno[3,2-c]azepine, N-(2-Guanidinoethyl)-tetrahydro-2-benzazepine and N-(2-Guanidinoethyl)-tetrahydro-1-benzazepine as Analogous to Antihypertensive Agent Guanetidine

  摘要：

  N-(2-guanidinoethyl)-tetrahydrothieno[3,2-c]azepine (2-guanidinoethyl)-tetrahydro-2-benzazepine 10b tetrahydro-1-benzazepine 10c analogous of Guanetidine were prepared by cyanomethylation of the corresponding azepines, reduction and subsequent guanilation of the resulting aminoethyl derivatives. These compounds were evaluated for antihypertensive activity in SHR rats but no significant activity was observed.

  DOI：

  10.1080/00397919408011191

文献信息

• GARCIA RAMOS R.; RAVINA E.; CORTIZO L.; ORALLO F.; CALLEJA J. M., AN. QUIM. REAL SOC. ESP. QUIM., 82,(1986) N 2, 119-123
  作者：GARCIA RAMOS R.、 RAVINA E.、 CORTIZO L.、 ORALLO F.、 CALLEJA J. M.

  DOI：——

  日期：——
• Synthesis of N-(2-Guanidinoethyl)-tetrahydrothieno[3,2-c]azepine, N-(2-Guanidinoethyl)-tetrahydro-2-benzazepine and N-(2-Guanidinoethyl)-tetrahydro-1-benzazepine as Analogous to Antihypertensive Agent Guanetidine
  作者：Ravina、Ramos、Masaguer、Mera

  DOI：10.1080/00397919408011191

  日期：1994.2

  N-(2-guanidinoethyl)-tetrahydrothieno[3,2-c]azepine (2-guanidinoethyl)-tetrahydro-2-benzazepine 10b tetrahydro-1-benzazepine 10c analogous of Guanetidine were prepared by cyanomethylation of the corresponding azepines, reduction and subsequent guanilation of the resulting aminoethyl derivatives. These compounds were evaluated for antihypertensive activity in SHR rats but no significant activity was observed.