2-methoxyethyl 2,7,7-trimethyl-4-(2-fluoro-3-chloro-5-trifluoromethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate | 1154416-12-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-methoxyethyl 2,7,7-trimethyl-4-(2-fluoro-3-chloro-5-trifluoromethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
• 英文别名: 2-Methoxyethyl 4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
• CAS: 1154416-12-2
• 化学式: C₂₃H₂₄ClF₄NO₄
• 分子量: 489.894
• InChiKey: ZUCHRIDZFBNVOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3-氯-2-氟-5-(三氟甲基)苯甲醛 、 乙酰乙酸甲氧乙酯 、 5,5-二甲基-1,3-环己二酮 在 ammonium acetate 作用下， 以 甲醇 为溶剂， 以38%的产率得到2-methoxyethyl 2,7,7-trimethyl-4-(2-fluoro-3-chloro-5-trifluoromethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
  参考文献：
  名称：

  Condensed 1,4-dihydropyridines with various esters and their calcium channel antagonist activities

  摘要：

  New alkyl 2,6,6-(2,7,7)-trimethyl-4-(2-fluoro-3-chloro-5-trifluoromethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylates and 9-(3-chloro-2-fluoro-5-trifluoromethylphenyl)-6,6(7,7)-dimethyl-6,7-dihydrofuro[3,4-b]quinoline-1,8-diones have been synthesised and their calcium antagonistic activities on isolated rabbit sigmoid colon have been investigated and compared with Nifedipine. The investigation examined the influence of ester groups in the 3-position of the HHQ ring and the 2-methoxyethyl analogs were found to be the most active derivatives. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.10.008

文献信息

• Condensed 1,4-dihydropyridines with various esters and their calcium channel antagonist activities
  作者：Bahadir Bülbül、Gökçe Sevim Öztürk、Mert Vural、Rahime Şimşek、Yusuf Sarioğlu、Anthony Linden、Mert Ülgen、Cihat Şafak

  DOI：10.1016/j.ejmech.2008.10.008

  日期：2009.5

  New alkyl 2,6,6-(2,7,7)-trimethyl-4-(2-fluoro-3-chloro-5-trifluoromethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylates and 9-(3-chloro-2-fluoro-5-trifluoromethylphenyl)-6,6(7,7)-dimethyl-6,7-dihydrofuro[3,4-b]quinoline-1,8-diones have been synthesised and their calcium antagonistic activities on isolated rabbit sigmoid colon have been investigated and compared with Nifedipine. The investigation examined the influence of ester groups in the 3-position of the HHQ ring and the 2-methoxyethyl analogs were found to be the most active derivatives. (C) 2008 Elsevier Masson SAS. All rights reserved.