(6-溴-2-吗啉-4-基喹唑啉-4-基)肼 | 93577-82-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: (6-溴-2-吗啉-4-基喹唑啉-4-基)肼
• 英文名称: 6-Bromo-4-hydrazinyl-2-(morpholin-4-yl)quinazoline
• 英文别名: (6-bromo-2-morpholin-4-ylquinazolin-4-yl)hydrazine
• CAS: 93577-82-3
• 化学式: C₁₂H₁₄BrN₅O
• 分子量: 324.18
• InChiKey: ULPDOJYHEPEDLL-UHFFFAOYSA-N

物化性质

• 沸点：
  498.5±55.0 °C(Predicted)
• 密度：
  1.79±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  76.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  N-(4-bromo-phenyl)-morpholine-4-carboximidoyl isothiocyanate 在 一水合肼 作用下， 以 乙醇 、 苯 为溶剂， 生成 (6-溴-2-吗啉-4-基喹唑啉-4-基)肼
  参考文献：
  名称：

  Stankovsky, Stefan; Sokyrova, Maria, Collection of Czechoslovak Chemical Communications, 1984, vol. 49, # 8, p. 1795 - 1799

  摘要：

  DOI：

文献信息

• STAKOVSKY, S.;SOKYROVA, M., COLLECT. CZECH. CHEM. COMMUN., 1984, 49, N 8, 1795-1799
  作者：STAKOVSKY, S.、SOKYROVA, M.

  DOI：——

  日期：——
• Stankovsky, Stefan; Sokyrova, Maria, Collection of Czechoslovak Chemical Communications, 1984, vol. 49, # 8, p. 1795 - 1799
  作者：Stankovsky, Stefan、Sokyrova, Maria

  DOI：——

  日期：——
• 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.