6-Chloro-9a-hydroxy-1,9a-dihydro-9-oxa-1,3-diaza-anthracene-2,4-dione | 148839-28-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-Chloro-9a-hydroxy-1,9a-dihydro-9-oxa-1,3-diaza-anthracene-2,4-dione
• 英文别名: 7-chloro-10a-hydroxy-1,10a-dihydro-2H-chromeno[2,3-d]pyrimidine-2,4(3H)-dione；7-chloro-10a-hydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione
• CAS: 148839-28-5
• 化学式: C₁₁H₇ClN₂O₄
• 分子量: 266.641
• InChiKey: IFYGMJFMXPCNAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  87.7
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-Chloro-9a-hydroxy-1,9a-dihydro-9-oxa-1,3-diaza-anthracene-2,4-dione 在 乙酸酐 、 溶剂黄146 作用下， 生成 7-Chloro-2H-chromeno<2,3-d>pyrimidine-2,4(3H)-dione
  参考文献：
  名称：

  Synthesis of Oxadeazaflavines from Barbituric Acid and Aromatic Aldehydes

  摘要：

  2H-Chromeno[2,3-d]-pyrimidine-2,4(3H)-diones were prepared directly from barbituric acid and salicylaldehydes or by thermal cyclization of the condensation product of barbituric acid and 6-bromopiperonal.

  DOI：

  10.1080/00397919208021101
• 作为产物：
  描述：

  巴比妥酸 、 5-氯代水杨醛 以 水 为溶剂， 反应 0.17h， 生成 6-Chloro-9a-hydroxy-1,9a-dihydro-9-oxa-1,3-diaza-anthracene-2,4-dione
  参考文献：
  名称：

  Synthesis of Oxadeazaflavines from Barbituric Acid and Aromatic Aldehydes

  摘要：

  2H-Chromeno[2,3-d]-pyrimidine-2,4(3H)-diones were prepared directly from barbituric acid and salicylaldehydes or by thermal cyclization of the condensation product of barbituric acid and 6-bromopiperonal.

  DOI：

  10.1080/00397919208021101

文献信息

• Synthesis of Oxadeazaflavines from Barbituric Acid and Aromatic Aldehydes
  作者：José Daniel Figueroa-Villar、Elizabete Rangel Cruz、Nedina Lucia dos Santos

  DOI：10.1080/00397919208021101

  日期：1992.4

  2H-Chromeno[2,3-d]-pyrimidine-2,4(3H)-diones were prepared directly from barbituric acid and salicylaldehydes or by thermal cyclization of the condensation product of barbituric acid and 6-bromopiperonal.