4-(6,8-dioxo-8,13-dihydro-6H,7H-5-oxa-13-aza-indeno[2,1-b]phenanthren-7-yl)-benzonitrile | 1372100-42-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 4-(6,8-dioxo-8,13-dihydro-6H,7H-5-oxa-13-aza-indeno[2,1-b]phenanthren-7-yl)-benzonitrile
• 英文别名: 4-(10,14-Dioxo-15-oxa-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),3(11),4,6,8,16,18,20-octaen-12-yl)benzonitrile；4-(10,14-dioxo-15-oxa-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),3(11),4,6,8,16,18,20-octaen-12-yl)benzonitrile
• CAS: 1372100-42-9
• 化学式: C₂₆H₁₄N₂O₃
• 分子量: 402.409
• InChiKey: QGTBIAJSTLDGQM-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C
• 沸点：
  709.4±60.0 °C(predicted)
• 密度：
  1.49±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  31
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  79.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,3-茚满二酮 、 4-氨基-苯并吡喃-2-酮 、 4-氰基苯甲醛 在 乳酸 、 L(-)-乳酸乙酯 作用下， 反应 3.0h， 以78%的产率得到4-(6,8-dioxo-8,13-dihydro-6H,7H-5-oxa-13-aza-indeno[2,1-b]phenanthren-7-yl)-benzonitrile
  参考文献：
  名称：

  An efficient green protocol for the synthesis of coumarin fused highly decorated indenodihydropyridyl and dihydropyridyl derivatives

  摘要：

  A simple, convenient, environmentally benign, and mild synthetic method has been established to afford highly decorated indenodihydropyridine and dihydropyridine derivatives employing a green solvent ethyl-L-lactate and an organo-catalyst (+/-)lactic acid. A wide range of functional groups were tolerated in the developed protocol. The target molecules were obtained in moderate to good yields applying the current method. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.02.077

文献信息

• An efficient green protocol for the synthesis of coumarin fused highly decorated indenodihydropyridyl and dihydropyridyl derivatives
  作者：Sanjay Paul、Asish R. Das

  DOI：10.1016/j.tetlet.2012.02.077

  日期：2012.4

  A simple, convenient, environmentally benign, and mild synthetic method has been established to afford highly decorated indenodihydropyridine and dihydropyridine derivatives employing a green solvent ethyl-L-lactate and an organo-catalyst (+/-)lactic acid. A wide range of functional groups were tolerated in the developed protocol. The target molecules were obtained in moderate to good yields applying the current method. (c) 2012 Elsevier Ltd. All rights reserved.