4-(2-甲基-4-氧代-4H-喹唑啉)-苯甲酸 | 4005-05-4

• 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: 4-(2-甲基-4-氧代-4H-喹唑啉)-苯甲酸
• 英文名称: 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid
• 英文别名: 3-(4-carboxyphenyl)-2-methyl-4(3H)-quinazolinone；4-(2-methyl-4-oxo-4H-quinazolin-3-yl)-benzoic acid；4-(2-Methyl-4-oxo-4H-chinazolin-3-yl)-benzoesaeure；3-(4-Carboxyphenyl)-2-methyl-4(3H)-chinazolinon；4-(2-methyl-4-oxoquinazolin-3-yl)benzoic acid
• CAS: 4005-05-4
• 化学式: C₁₆H₁₂N₂O₃
• mdl: MFCD01996102
• 分子量: 280.283
• InChiKey: KZZXWFMSTZOYOO-UHFFFAOYSA-N

物化性质

• 熔点：
  259 °C
• 沸点：
  517.7±52.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.062
• 拓扑面积：
  70
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4-(2-甲基-4-氧代-4H-喹唑啉)-苯甲酸 在 氯化亚砜 作用下， 反应 3.0h， 生成 4-(2-甲基-4-氧代-喹唑啉-3-基)苯甲酸乙酯
  参考文献：
  名称：

  Panda; Srinivas; Rao, M.E. Bhanoji, Journal of the Indian Chemical Society, 2002, vol. 79, # 9, p. 770 - 771

  摘要：

  DOI：
• 作为产物：
  描述：

  邻乙酰氨基苯甲酸 在 甲苯 、 三氯化磷 作用下， 生成 4-(2-甲基-4-氧代-4H-喹唑啉)-苯甲酸
  参考文献：
  名称：

  Serventi; Marchesi, Bollettino Scientifico della Facolta di Chimica Industriale di Bologna, 1957, vol. 15, p. 114

  摘要：

  DOI：

文献信息

• Dash, B.; Dora, E. K.; Panda, C. S., Journal of the Indian Chemical Society, 1980, vol. 57, # 8, p. 835 - 836
  作者：Dash, B.、Dora, E. K.、Panda, C. S.

  DOI：——

  日期：——
• Synthesis and anticonvulsant activity of novel quinazolin-4(3H)-one derived pyrazole analogs
  作者：Veerachamy Alagarsamy、Govindaraj Saravanan

  DOI：10.1007/s00044-012-0169-9

  日期：2013.4

  Eighteen novel 6,8-(dibromo/unsubstituted)-2-(methyl/phenyl)-3-(4-(5-(substitutedphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbonyl)phenyl)-quinazolin-4(3H)-ones 4a-4r were designed and synthesized in good yield. Antiepileptic screening of the title compounds was performed using MES and scPTZ seizures tests while the neurotoxicity was determined by rotorod test. In the preliminary screening, compounds 4d, 4e, 4p, 4q, and 4r were found active in MES model, while 4a, 4d, 4f, 4m, and 4p showed significant antiepileptic activity in scPTZ model. Further, all these eight compounds were administered to rats and compounds 4e, 4p, and 4q showed better activity than Phenytoin in oral route. Among these compounds 4p revealed protection in MES after i.p. administration at a dose of 30 mg/kg (0.5 h) and 100 mg/kg (4 h). The compound 4p also provided protection in the scPTZ at a dose of 100 mg/kg (0.5 h) and 300 mg/kg (4 h).
• Serventi; Marchesi, Bollettino Scientifico della Facolta di Chimica Industriale di Bologna, 1957, vol. 15, p. 114
  作者：Serventi、Marchesi

  DOI：——

  日期：——
• Bogert; Beal, Journal of the American Chemical Society, 1912, vol. 34, p. 522
  作者：Bogert、Beal

  DOI：——

  日期：——
• Mishra, Pradeep; Paneerselvam, P.; Jain, Sandeep, Journal of the Indian Chemical Society, 1995, vol. 72, # 8, p. 559 - 560
  作者：Mishra, Pradeep、Paneerselvam, P.、Jain, Sandeep

  DOI：——

  日期：——