4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl-4-methylbenzenesulfonate | 1375957-29-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl-4-methylbenzenesulfonate
• CAS: 1375957-29-1
• 化学式: C₂₁H₁₅NO₅S
• 分子量: 393.42
• InChiKey: LUEXWGARRBPKFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.93
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  86.47
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl-4-methylbenzenesulfonate 在 溶剂黄146 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 11.0h， 生成 (E)-4-(3-(4-cinnamoylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)phenyl-4-methylbenzenesulfonate
  参考文献：
  名称：

  Novel quinazolinone derivatives: synthesis and antimicrobial activity

  摘要：

  4-(4-Oxo-4H-3,1-benzoxazin-2-yl)phenyl-4-methylbenzenesulfonate (2) was prepared and reacted with some primary aromatic amines, e.g., aniline, p-chloro aniline, p-methoxy aniline, p-amino benzoic acid and p-amino acetophenone. It reacted also with some heterocyclic amines, e.g., 2-aminothiazole, 2-aminobenzothiazole, 5-amino-4-phenylazo-2,4-dihydropyrazol-3-one and 3-amino-2-methylquinazolinone and with diamines; e.g., o-phenylenediamine, p-phenylenediamine, ethylenediamine, semicarbazide hydrochloride and thiosemicarbazide under different conditions. On the other hand, compound (2) reacted with both sodium azide and active methylene compounds, e.g., ethylcyanoacetate and ethylacetoacetate to give (19) and (20), respectively. All new prepared compounds were subjected to antimicrobial activity evaluation.

  DOI：

  10.1007/s00044-012-0079-x
• 作为产物：
  描述：

  对羟基苯甲酸 在 吡啶 、 氯化亚砜 作用下， 反应 1.08h， 生成 4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl-4-methylbenzenesulfonate
  参考文献：
  名称：

  Novel quinazolinone derivatives: synthesis and antimicrobial activity

  摘要：

  4-(4-Oxo-4H-3,1-benzoxazin-2-yl)phenyl-4-methylbenzenesulfonate (2) was prepared and reacted with some primary aromatic amines, e.g., aniline, p-chloro aniline, p-methoxy aniline, p-amino benzoic acid and p-amino acetophenone. It reacted also with some heterocyclic amines, e.g., 2-aminothiazole, 2-aminobenzothiazole, 5-amino-4-phenylazo-2,4-dihydropyrazol-3-one and 3-amino-2-methylquinazolinone and with diamines; e.g., o-phenylenediamine, p-phenylenediamine, ethylenediamine, semicarbazide hydrochloride and thiosemicarbazide under different conditions. On the other hand, compound (2) reacted with both sodium azide and active methylene compounds, e.g., ethylcyanoacetate and ethylacetoacetate to give (19) and (20), respectively. All new prepared compounds were subjected to antimicrobial activity evaluation.

  DOI：

  10.1007/s00044-012-0079-x

文献信息

• Facile and Convenient Synthesis of New Isoxazolo[5,4-b]pyridine, Pyrrolo[3,2-d]isoxazole, Isoxazolo[5,4-b]azepine-4,7-dione and Isoxazole Derivatives with Potential Anticancer Activity
  作者：Ahmed El-Mekabaty、Mona E. Ibrahim

  DOI：10.3987/com-20-14245

  日期：——