3-ethyl-2-methyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-imine | 911428-99-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-ethyl-2-methyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-imine
• 英文别名: 3-Ethyl-2-methyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-imine
• CAS: 911428-99-4
• 化学式: C₁₇H₁₅F₃N₄
• 分子量: 332.328
• InChiKey: TUZHDEJULDWNAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-ethyl-2-methyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-imine 以 乙醇 为溶剂， 以78%的产率得到N-ethyl-2-methyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
  参考文献：
  名称：

  Convenient synthesis of novel 4-substitutedamino-5-trifluoromethyl–2,7-disubstituted pyrido[2,3-d] pyrimidines and their antibacterial activity

  摘要：

  Novel pyrido[2,3-d]pyrimidines 4 have been synthesised starting from 2-amino-4-trifluoromethyl-6-substituted nicotinonitriles 1 via imine formation, selective amination followed by Dimroth rearrangement. Compound 4 were screened against Gram +ve and -ve bacteria in vitro. Compounds 4h and 4d showed significant activity against all species of Gram positive bacteria and moderate activity against Gram negative bacteria. N-2,4 difluorophenyl compounds 4l and 4m were the least active among all the compounds. All the compounds were inactive against Pseudomonas aeruginosa at the maximum concentration of 200 mu g ml(-1). (c) 2006 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.03.028
• 作为产物：
  描述：

  2-氨基-6-苯基-4-(三氟甲基)吡啶-3-甲腈 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 9.0h， 生成 3-ethyl-2-methyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-imine
  参考文献：
  名称：

  Convenient synthesis of novel 4-substitutedamino-5-trifluoromethyl–2,7-disubstituted pyrido[2,3-d] pyrimidines and their antibacterial activity

  摘要：

  Novel pyrido[2,3-d]pyrimidines 4 have been synthesised starting from 2-amino-4-trifluoromethyl-6-substituted nicotinonitriles 1 via imine formation, selective amination followed by Dimroth rearrangement. Compound 4 were screened against Gram +ve and -ve bacteria in vitro. Compounds 4h and 4d showed significant activity against all species of Gram positive bacteria and moderate activity against Gram negative bacteria. N-2,4 difluorophenyl compounds 4l and 4m were the least active among all the compounds. All the compounds were inactive against Pseudomonas aeruginosa at the maximum concentration of 200 mu g ml(-1). (c) 2006 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.03.028

文献信息

• Convenient synthesis of novel 4-substitutedamino-5-trifluoromethyl–2,7-disubstituted pyrido[2,3-d] pyrimidines and their antibacterial activity
  作者：S. Ravi Kanth、G. Venkat Reddy、K. Hara Kishore、P. Shanthan Rao、B. Narsaiah、U. Surya Narayana Murthy

  DOI：10.1016/j.ejmech.2006.03.028

  日期：2006.8

  Novel pyrido[2,3-d]pyrimidines 4 have been synthesised starting from 2-amino-4-trifluoromethyl-6-substituted nicotinonitriles 1 via imine formation, selective amination followed by Dimroth rearrangement. Compound 4 were screened against Gram +ve and -ve bacteria in vitro. Compounds 4h and 4d showed significant activity against all species of Gram positive bacteria and moderate activity against Gram negative bacteria. N-2,4 difluorophenyl compounds 4l and 4m were the least active among all the compounds. All the compounds were inactive against Pseudomonas aeruginosa at the maximum concentration of 200 mu g ml(-1). (c) 2006 Elsevier SAS. All rights reserved.