glycine-2-(1,4-dihydro-1-methyl-2,4-dioxo-3(2H)-quinazolinyl)ethyl ester | 1400799-43-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: glycine-2-(1,4-dihydro-1-methyl-2,4-dioxo-3(2H)-quinazolinyl)ethyl ester
• 英文别名: 2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3-yl)ethyl 2-aminoacetate
• CAS: 1400799-43-0
• 化学式: C₁₃H₁₅N₃O₄
• 分子量: 277.28
• InChiKey: ASFJJAOALDLFCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  96.32
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  glycine-2-(1,4-dihydro-1-methyl-2,4-dioxo-3(2H)-quinazolinyl)ethyl ester 、 邻氯苯甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以51%的产率得到N-(2-chlorobenzoyl)glycine-2-(1,4-dihydro-1-methyl-2,4-dioxo-3(2H)-quinazolinyl)ethyl ester
  参考文献：
  名称：

  Design, synthesis, and evaluation of novel 1-methyl-3-substituted quinazoline-2,4-dione derivatives as antimicrobial agents

  摘要：

  A series of novel 1-methyl-3-substituted quinazoline-2,4-dione derivatives was designed, synthesized, and evaluated for their antimicrobial activities against six strains of bacteria and five fungi in vitro. The synthesized compounds were characterized by spectral methods. The bioactive assays showed that most of the compounds exhibited moderate antimicrobial activities against the tested strains.

  DOI：

  10.1007/s00044-013-0813-z
• 作为产物：
  描述：

  N-[(1,1-dimethylethoxy)carbonyl]glycine-2-(1,4-dihydro-1-methyl-2,4-dioxo-3(2H)-quinazolinyl)ethyl ester 在 三氟乙酸 、 potassium hydrogencarbonate 作用下， 以 二氯甲烷 、 甲醇 为溶剂， 反应 5.0h， 以51.7%的产率得到glycine-2-(1,4-dihydro-1-methyl-2,4-dioxo-3(2H)-quinazolinyl)ethyl ester
  参考文献：
  名称：

  Design, synthesis, and evaluation of novel 1-methyl-3-substituted quinazoline-2,4-dione derivatives as antimicrobial agents

  摘要：

  A series of novel 1-methyl-3-substituted quinazoline-2,4-dione derivatives was designed, synthesized, and evaluated for their antimicrobial activities against six strains of bacteria and five fungi in vitro. The synthesized compounds were characterized by spectral methods. The bioactive assays showed that most of the compounds exhibited moderate antimicrobial activities against the tested strains.

  DOI：

  10.1007/s00044-013-0813-z