2-N-hexyl-7-phenyl-5-(trifluoromethyl) pyrido[2,3-d]pyrimidin-4(3H)-one | 1314534-93-4

• 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: 2-N-hexyl-7-phenyl-5-(trifluoromethyl) pyrido[2,3-d]pyrimidin-4(3H)-one
• CAS: 1314534-93-4
• 化学式: C₂₀H₂₀F₃N₃O
• 分子量: 375.394
• InChiKey: VPCFASMUUJVSLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.13
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  58.64
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-N-hexyl-7-phenyl-5-(trifluoromethyl) pyrido[2,3-d]pyrimidin-4(3H)-one 在 copper(l) iodide 、 potassium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 24.0h， 生成 3-((1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-1H-1,2,3-triazol-4-yl)methyl)-2-hexyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-4(3H)-one
  参考文献：
  名称：

  Synthesis of novel alkyltriazole tagged pyrido[2,3-d]pyrimidine derivatives and their anticancer activity

  摘要：

  A series of novel alkyltriazole tagged pyrido[2,3-d]pyrimidine derivatives 5 and 6 was prepared starting from 2,3-active functional pyridine 1 via cyclization, propargylation followed by reaction with alkyl or perfluoroalkyl azides under Sharpless conditions. All the compounds 5 and 6 were screened for anticancer activity against three cancer cell lines such as U-937, THP-1 and Colo205. The promising compounds 5b and Se have been identified. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.05.011
• 作为产物：
  描述：

  庚酸 、 2-氨基-6-苯基-4-(三氟甲基)吡啶-3-甲腈 在 硫酸 作用下， 以96%的产率得到2-N-hexyl-7-phenyl-5-(trifluoromethyl) pyrido[2,3-d]pyrimidin-4(3H)-one
  参考文献：
  名称：

  Synthesis of novel alkyltriazole tagged pyrido[2,3-d]pyrimidine derivatives and their anticancer activity

  摘要：

  A series of novel alkyltriazole tagged pyrido[2,3-d]pyrimidine derivatives 5 and 6 was prepared starting from 2,3-active functional pyridine 1 via cyclization, propargylation followed by reaction with alkyl or perfluoroalkyl azides under Sharpless conditions. All the compounds 5 and 6 were screened for anticancer activity against three cancer cell lines such as U-937, THP-1 and Colo205. The promising compounds 5b and Se have been identified. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.05.011