8-Bromo-4-morpholin-4-yl-1,2,3,3a,5-pentaaza-cyclopenta[a]naphthalene | 138769-24-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 8-Bromo-4-morpholin-4-yl-1,2,3,3a,5-pentaaza-cyclopenta[a]naphthalene
• 英文别名: 9-Bromo-5-(morpholin-4-yl)tetrazolo[1,5-c]quinazoline；4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine
• CAS: 138769-24-1
• 化学式: C₁₂H₁₁BrN₆O
• 分子量: 335.163
• InChiKey: NRPFFHSZVHJJJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  68.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (6-溴-2-吗啉-4-基喹唑啉-4-基)肼 在 盐酸 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 1.0h， 以56%的产率得到8-Bromo-4-morpholin-4-yl-1,2,3,3a,5-pentaaza-cyclopenta[a]naphthalene
  参考文献：
  名称：

  Amidinoyl isothiocyanates in the synthesis of condensed heterocycles: Tetrazolo-azidoazomethine tautomerism in substituted tetrazolo[1,5-c]quinazolines

  摘要：

  Isomerization of available amidinoyl isothiocyanates has been elaborated into a viable synthetic approach to sec. amine substituted tetrazolo[1,5-c]quinazolines. The method involves isomerization to quinazoline-4-thiones, their hydrazinolysis, followed by a nitrosation to give the title tetrazoloquinazolines. Infrared spectra of both solid samples and their solutions were used to assess the stability of the tetrazole ring.

  DOI：

  10.1007/bf00815923

文献信息

• Amidinoyl isothiocyanates in the synthesis of condensed heterocycles: Tetrazolo-azidoazomethine tautomerism in substituted tetrazolo[1,5-c]quinazolines
  作者：Štefan Stankovsky、Katarina Špirkova

  DOI：10.1007/bf00815923

  日期：1991.10

  Isomerization of available amidinoyl isothiocyanates has been elaborated into a viable synthetic approach to sec. amine substituted tetrazolo[1,5-c]quinazolines. The method involves isomerization to quinazoline-4-thiones, their hydrazinolysis, followed by a nitrosation to give the title tetrazoloquinazolines. Infrared spectra of both solid samples and their solutions were used to assess the stability of the tetrazole ring.