pyrrolobenzoxazine-2,5-dione | 847976-13-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: pyrrolobenzoxazine-2,5-dione
• 英文别名: 9-Oxa-1-azatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-triene-10,13-dione
• CAS: 847976-13-0
• 化学式: C₁₂H₁₁NO₃
• 分子量: 217.224
• InChiKey: YUHJOMZQKUMLSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  pyrrolobenzoxazine-2,5-dione 在 盐酸 作用下， 反应 5.0h， 以87%的产率得到7-羟基吲哚啉
  参考文献：
  名称：

  Convenient synthesis of 7-hydroxyindole

  摘要：

  7-Hydroxyindole, the key building block for the synthesis of AJ-9677 1, was prepared front indoline in six steps in 36% overall yield. AJ-9677 1 is a potent and selective adrenaline beta3-agonist being considered as a clinical candidate to treat obesity in those who are suffering from diabetes. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.12.023
• 作为产物：
  描述：

  2,3,6,7-四氢氮杂并[3,2,1-喜]吲哚-1,4-二酮 在 dipotassium peroxodisulfate 作用下， 以 硫酸 为溶剂， 以75%的产率得到pyrrolobenzoxazine-2,5-dione
  参考文献：
  名称：

  Convenient synthesis of 7-hydroxyindole

  摘要：

  7-Hydroxyindole, the key building block for the synthesis of AJ-9677 1, was prepared front indoline in six steps in 36% overall yield. AJ-9677 1 is a potent and selective adrenaline beta3-agonist being considered as a clinical candidate to treat obesity in those who are suffering from diabetes. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.12.023

文献信息

• Convenient synthesis of 7-hydroxyindole
  作者：Kazunao Ishiyama、Yasuhiro Yamada

  DOI：10.1016/j.tetlet.2004.12.023

  日期：2005.2

  7-Hydroxyindole, the key building block for the synthesis of AJ-9677 1, was prepared front indoline in six steps in 36% overall yield. AJ-9677 1 is a potent and selective adrenaline beta3-agonist being considered as a clinical candidate to treat obesity in those who are suffering from diabetes. (C) 2004 Elsevier Ltd. All rights reserved.