7-(4-chlorophenyl)-7,13-dihydro-5-oxa-13-aza-indeno[2,1-b]phenanthrene-6,8-dione | 1393713-52-4

• 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: 7-(4-chlorophenyl)-7,13-dihydro-5-oxa-13-aza-indeno[2,1-b]phenanthrene-6,8-dione
• 英文别名: 12-(4-Chlorophenyl)-15-oxa-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),3(11),4,6,8,16,18,20-octaene-10,14-dione；12-(4-chlorophenyl)-15-oxa-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),3(11),4,6,8,16,18,20-octaene-10,14-dione
• CAS: 1393713-52-4
• 化学式: C₂₅H₁₄ClNO₃
• 分子量: 411.844
• InChiKey: JEMXSGZIZWOUDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  30
• 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：
  55.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-羟基香豆素 在 ammonium acetate 作用下， 以 溶剂黄146 为溶剂， 反应 5.2h， 生成 7-(4-chlorophenyl)-7,13-dihydro-5-oxa-13-aza-indeno[2,1-b]phenanthrene-6,8-dione
  参考文献：
  名称：

  An Efficient One-Pot Three-Component Synthesis of Highly Functionalized Coumarin Fused Indenodihydropyridine and Chromeno[4,3-b]quinoline Derivatives

  摘要：

  An efficient one-pot, three-component synthesis method of highly functionalized coumarin fused 7,13-dihydro-5-oxa-13-aza-indeno[2,1-b]phenanthrene and chromeno[4,3-b]quinoline derivatives was accomplished using aromatic aldehyde, 4-aminocoumarin and cyclic 1,3-dione in acetic acid at reflux temperature. Environmental-friendly protocol has advantages of high yields, creating three new bonds and one stereocenter in single operation. Further, XRD and DFT study confirmed the molecular structure, stability and different interaction in the crystal packing.

  DOI：

  10.3987/com-12-12494

文献信息

• An Efficient One-Pot Three-Component Synthesis of Highly Functionalized Coumarin Fused Indenodihydropyridine and Chromeno[4,3-b]quinoline Derivatives
  作者：Naseem Ahmed、B. Venkata Babu、Sandeep Singh、Petar M. Mitrasinovic

  DOI：10.3987/com-12-12494

  日期：——

  An efficient one-pot, three-component synthesis method of highly functionalized coumarin fused 7,13-dihydro-5-oxa-13-aza-indeno[2,1-b]phenanthrene and chromeno[4,3-b]quinoline derivatives was accomplished using aromatic aldehyde, 4-aminocoumarin and cyclic 1,3-dione in acetic acid at reflux temperature. Environmental-friendly protocol has advantages of high yields, creating three new bonds and one stereocenter in single operation. Further, XRD and DFT study confirmed the molecular structure, stability and different interaction in the crystal packing.