N-tert-butyl-2,3-dicyanospiro[1,4,5a,6,7,8-hexahydrocyclopenta[e][1,4]diazepine-5,1'-cyclopentane]-8a-carboxamide | 1023300-37-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-tert-butyl-2,3-dicyanospiro[1,4,5a,6,7,8-hexahydrocyclopenta[e][1,4]diazepine-5,1'-cyclopentane]-8a-carboxamide
• CAS: 1023300-37-9
• 化学式: C₁₉H₂₇N₅O
• 分子量: 341.456
• InChiKey: ZUKULQIJIUTVOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  异氰酸叔丁酯 、 环戊酮 、 二氨基马来腈 在 对甲苯磺酸 、 水 作用下， 以 水 为溶剂， 以80%的产率得到N-tert-butyl-2,3-dicyanospiro[1,4,5a,6,7,8-hexahydrocyclopenta[e][1,4]diazepine-5,1'-cyclopentane]-8a-carboxamide
  参考文献：
  名称：

  A Novel One-Pot Pseudo-Five-Component Synthesis of 4,5,6,7-Tetrahydro-1H-1,4-diazepine-5-carboxamide Derivatives

  摘要：

  A novel one-pot pseudo-five-component synthesis of 4,5,6,7-tetrahydro-1H-1,4-diazepine-5-carboxamide derivatives starting from simple and readily available inputs including 2,3-diaminomaleonitrile, a cyclic or acyclic ketone, an isocyanide, and water in the presence of a catalytic amount of p-toluenesulfonic acid in aqueous medium at ambient temperature in high yields is described.

  DOI：

  10.1021/jo8002612

文献信息

• A Novel One-Pot Pseudo-Five-Component Synthesis of 4,5,6,7-Tetrahydro-1<i>H</i>-1,4-diazepine-5-carboxamide Derivatives
  作者：Ahmad Shaabani、Ali Maleki、Hamid Mofakham、Jafar Moghimi-Rad

  DOI：10.1021/jo8002612

  日期：2008.5.1

  A novel one-pot pseudo-five-component synthesis of 4,5,6,7-tetrahydro-1H-1,4-diazepine-5-carboxamide derivatives starting from simple and readily available inputs including 2,3-diaminomaleonitrile, a cyclic or acyclic ketone, an isocyanide, and water in the presence of a catalytic amount of p-toluenesulfonic acid in aqueous medium at ambient temperature in high yields is described.