1-dodecanoyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one | 1427523-30-5

• 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: 1-dodecanoyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
• 英文别名: 1-Dodecanoyl-3-phenyl-2-sulfanylidenequinazolin-4-one；1-dodecanoyl-3-phenyl-2-sulfanylidenequinazolin-4-one
• CAS: 1427523-30-5
• 化学式: C₂₆H₃₂N₂O₂S
• 分子量: 436.618
• InChiKey: MMVORLCQEMHZII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  72.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  硫代异氰酸苯酯 在 吡啶 、 sodium acetate 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 12.0h， 生成 1-dodecanoyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
  参考文献：
  名称：

  Spectral Characterization of Novel 3-Phenyl-2-Substituted Quinazoline and Fused Quinazoline Derivatives

  摘要：

  3-phenyl-2-thioxo-quinazolin-4(3H)one 1 was utilized for the construction of some novel 2-substituted quinazolin-4(3H)one derivatives through the formation of 2-hydrazinyl quinazolinone, which was used as the key starting material for the synthesis of 2-heteryl quinazolines via the reaction with one carbon donors, -diketones and -ketoester. Infrared, H-1 NMR, and mass spectra of the synthesized compounds were discussed. Some of them showed promising anti-inflammatory activity. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.

  DOI：

  10.1080/00397911.2011.642924