6-Chloro-4-cyclopropylethynyl-3-hydroxy-4-trifluoromethyl-1-(2-trimethylsilanyl-ethoxymethyl)-3,4-dihydro-1H-quinolin-2-one | 253664-16-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 6-Chloro-4-cyclopropylethynyl-3-hydroxy-4-trifluoromethyl-1-(2-trimethylsilanyl-ethoxymethyl)-3,4-dihydro-1H-quinolin-2-one
• CAS: 253664-16-3
• 化学式: C₂₁H₂₅ClF₃NO₃Si
• 分子量: 459.968
• InChiKey: HZJXFHIGJOOWBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.57
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  49.77
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  6-Chloro-4-cyclopropylethynyl-3-hydroxy-4-trifluoromethyl-1-(2-trimethylsilanyl-ethoxymethyl)-3,4-dihydro-1H-quinolin-2-one 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成
  参考文献：
  名称：

  Synthesis and evaluation of novel quinolinones as HIV-1 reverse transcriptase inhibitors

  摘要：

  A series of 4,4-disubstituted quinolinones was prepared and evaluated as HIV-1 reverse transcriptase inhibitors. The C-3 substituted compound 9h displayed improved antiviral activity against clinically significant single (K103N) and double (K103N/L100I) mutant viruses. (C) 2001 DuPont Pharmaceuticals Company. Published by Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0960-894x(01)00331-6
• 作为产物：
  描述：

  6-Chloro-4-cyclopropylethynyl-4-trifluoromethyl-1-(2-trimethylsilanyl-ethoxymethyl)-3,4-dihydro-1H-quinolin-2-one 在 MoO5*pyridine*HMPA 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 以68%的产率得到6-Chloro-4-cyclopropylethynyl-3-hydroxy-4-trifluoromethyl-1-(2-trimethylsilanyl-ethoxymethyl)-3,4-dihydro-1H-quinolin-2-one
  参考文献：
  名称：

  Synthesis and evaluation of novel quinolinones as HIV-1 reverse transcriptase inhibitors

  摘要：

  A series of 4,4-disubstituted quinolinones was prepared and evaluated as HIV-1 reverse transcriptase inhibitors. The C-3 substituted compound 9h displayed improved antiviral activity against clinically significant single (K103N) and double (K103N/L100I) mutant viruses. (C) 2001 DuPont Pharmaceuticals Company. Published by Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0960-894x(01)00331-6