2-amino-N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)benzohydrazide | 331452-05-2

• 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-amino-N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)benzohydrazide
• 英文别名: Benzhydrazide, 2-amino-N2-(5,5-dimethyl-3-oxocyclohex-1-enyl)-；2-amino-N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)benzohydrazide
• CAS: 331452-05-2
• 化学式: C₁₅H₁₉N₃O₂
• 分子量: 273.335
• InChiKey: WDCWCHBPJUEMRL-UHFFFAOYSA-N

物化性质

• 沸点：
  420.7±45.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  84.2
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-amino-N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)benzohydrazide 、 3-benzoylpyrrolo[2,1-c][1,4]benzoxazine-1,2,4-trione 以 间二甲苯 为溶剂， 以91%的产率得到2-amino-N-[3'-benzoyl-4'-hydroxy-1'-(2-hydroxyphenyl)-6,6-dimethyl-2,4,5'-trioxo-1',4,5,5',6,7-hexahydrospiro[indole-3,2'-pyrrol]-1(2H)-yl]benzamide
  参考文献：
  名称：

  Five-membered 2,3-dioxo heterocycles: LX. Reaction of 3-aroyl-1H-pyrrolo[2,1-c][1,4]benzoxazine-1,2,4-triones with cyclic enehydrazino ketones. Crystalline and molecular structure of N-[3′-benzoyl-4′-hydroxy-1′-(2-hydroxyphenyl)-6, 6-dimethyl-2,4,5′-trioxo-1′,4,5,5′,6,7-hexahydrospiro[indole-3,2′-pyrrol]-1(2H)-yl]-3-nitrobenzamide

  摘要：

  3-Aroyl-1H-pyrrolo[2,1-c][1,4]benzoxazine-1,2,4-triones react with N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)benzohydrazides to give the corresponding N-[3'-aroyl-4'-hydroxy-1'-(2-hydroxyphenyl)-6,6-dimethyl-2,4,5'-trioxo-1',4,5,5',6,7-hexahydrospiro[indole-3,2'-pyrrol]-1(2H)-yl]benzamides. The molecular and crystalline structure of one of the products, N-[3'-benzoyl-4'-hydroxy-1'-(2-hydroxyphenyl)-6,6-dimethyl-2,4,5'-trioxo-1',4,5,5',6,7-hexahydrospiro[indole-3,2'-pyrrol]-1(2H)-yl]-3-nitrobenzamide, was determined by X-ray analysis.

  DOI：

  10.1134/s1070428008060092

文献信息

• Five-membered 2,3-dioxo heterocycles: LX. Reaction of 3-aroyl-1H-pyrrolo[2,1-c][1,4]benzoxazine-1,2,4-triones with cyclic enehydrazino ketones. Crystalline and molecular structure of N-[3′-benzoyl-4′-hydroxy-1′-(2-hydroxyphenyl)-6, 6-dimethyl-2,4,5′-trioxo-1′,4,5,5′,6,7-hexahydrospiro[indole-3,2′-pyrrol]-1(2H)-yl]-3-nitrobenzamide
  作者：N. L. Racheva、Z. G. Aliev、A. N. Maslivets

  DOI：10.1134/s1070428008060092

  日期：2008.6

  3-Aroyl-1H-pyrrolo[2,1-c][1,4]benzoxazine-1,2,4-triones react with N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)benzohydrazides to give the corresponding N-[3'-aroyl-4'-hydroxy-1'-(2-hydroxyphenyl)-6,6-dimethyl-2,4,5'-trioxo-1',4,5,5',6,7-hexahydrospiro[indole-3,2'-pyrrol]-1(2H)-yl]benzamides. The molecular and crystalline structure of one of the products, N-[3'-benzoyl-4'-hydroxy-1'-(2-hydroxyphenyl)-6,6-dimethyl-2,4,5'-trioxo-1',4,5,5',6,7-hexahydrospiro[indole-3,2'-pyrrol]-1(2H)-yl]-3-nitrobenzamide, was determined by X-ray analysis.