| 1447497-58-6

• 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
• CAS: 1447497-58-6
• 化学式: C₂₄H₁₅Cl₂NO₄
• 分子量: 452.293
• InChiKey: WCNFMESLJABFQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.67
• 重原子数：
  31.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  79.54
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 三氯氧磷 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 5.0h， 以54%的产率得到
  参考文献：
  名称：

  An efficient synthesis of novel chromeno[3′,4′:5,6]pyrano[2,3-b]indole derivatives

  摘要：

  An efficient two-step method was described for the synthesis of chromeno[3',4':5,6]pyrano[2,3-b]indole derivatives. The three-component reaction of 4-hydroxycoumarin, variously substituted benzaldehydes and indolin-2-one was promoted by P2O5 in refluxing ethanol to give trimolecular adducts, which were then cyclized in 1,2-dichloroethane under reflux using POCl3. (C) 2013 Wei-Ke Su. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.01.033
• 作为产物：
  描述：

  2-吲哚酮 、 4-羟基香豆素 、 2,4-二氯苯甲醛 在 四磷十氧化物 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  An efficient synthesis of novel chromeno[3′,4′:5,6]pyrano[2,3-b]indole derivatives

  摘要：

  An efficient two-step method was described for the synthesis of chromeno[3',4':5,6]pyrano[2,3-b]indole derivatives. The three-component reaction of 4-hydroxycoumarin, variously substituted benzaldehydes and indolin-2-one was promoted by P2O5 in refluxing ethanol to give trimolecular adducts, which were then cyclized in 1,2-dichloroethane under reflux using POCl3. (C) 2013 Wei-Ke Su. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.01.033