Thiazolo[4,5-h]quinazoline-2-carbonitrile,6,7-dihydro-6-oxo-7-(phenylmethyl)- | 591755-21-4

• 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: Thiazolo[4,5-h]quinazoline-2-carbonitrile,6,7-dihydro-6-oxo-7-(phenylmethyl)-
• 英文别名: 7-benzyl-6-oxo-6,7-dihydrothiazolo[4,5-h]quinazoline-2-carbonitrile
• CAS: 591755-21-4
• 化学式: C₁₇H₁₀N₄OS
• 分子量: 318.359
• InChiKey: CSHDDYBSDDZCON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.93
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  71.57
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Thiazolo[4,5-h]quinazoline-2-carbonitrile,6,7-dihydro-6-oxo-7-(phenylmethyl)- 以 硫酸 为溶剂， 反应 0.25h， 以38%的产率得到7H-[1,3]thiazolo[4,5-h]quinazolin-6-one
  参考文献：
  名称：

  Efficient synthesis of thiazoloquinazolinone derivatives

  摘要：

  An original route to the rare 8H-thiazolo[5,4-f]quinazolin-9-one 1 and the novel 7H-thiazolo[4,5-h]quinazolin-6-one 2 is described. Access to the regioisomers was realized by fusion of a thiazole and a quinazoline ring via Appel's salt chemistry. Thermal reactions were carried Out using a focused microwave reactor. reducing the overall time of the multi-step synthesis. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01026-8
• 作为产物：
  描述：

  3-benzyl-7-nitroquinazolin-4(3H)-one 在 palladium on activated charcoal 吡啶 、 copper(l) iodide 、 溴 、 ammonium formate 作用下， 以 吡啶 、 乙醇 、 二氯甲烷 、 溶剂黄146 为溶剂， 反应 5.42h， 生成 Thiazolo[4,5-h]quinazoline-2-carbonitrile,6,7-dihydro-6-oxo-7-(phenylmethyl)-
  参考文献：
  名称：

  Efficient synthesis of thiazoloquinazolinone derivatives

  摘要：

  An original route to the rare 8H-thiazolo[5,4-f]quinazolin-9-one 1 and the novel 7H-thiazolo[4,5-h]quinazolin-6-one 2 is described. Access to the regioisomers was realized by fusion of a thiazole and a quinazoline ring via Appel's salt chemistry. Thermal reactions were carried Out using a focused microwave reactor. reducing the overall time of the multi-step synthesis. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01026-8