(2E)-3-(2-chloro-8-methylquinolin-3-yl)-1-(2,5-dichlorothien-3-yl)prop-2-en-1-one | 1313405-68-3

• 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: (2E)-3-(2-chloro-8-methylquinolin-3-yl)-1-(2,5-dichlorothien-3-yl)prop-2-en-1-one
• 英文别名: (E)-3-(2-chloro-8-methylquinolin-3-yl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one
• CAS: 1313405-68-3
• 化学式: C₁₇H₁₀Cl₃NOS
• 分子量: 382.697
• InChiKey: YEAOBPPEZKYQLE-AATRIKPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  58.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2E)-3-(2-chloro-8-methylquinolin-3-yl)-1-(2,5-dichlorothien-3-yl)prop-2-en-1-one 在 一水合肼 作用下， 以 乙醇 为溶剂， 以75%的产率得到2-chloro-3-[3-(2,5-dichlorothiophen-3-yl)-4,5-dihydro-1H-pyrazol-5-yl]-8-methylquinoline
  参考文献：
  名称：

  Novel quinolyl-thienyl chalcones and their 2-pyrazoline derivatives with diverse substitution pattern as antileishmanial agents against Leishmania major

  摘要：

  A series of twenty-two new pyrazoline derivatives was prepared from quinoline-based chalcones which in turn were synthesized by condensing formylquinolines with diverse acetylthiophenes. The titled compounds were characterized by spectroscopic techniques (NMR, IR and MS) and elemental analysis. All the compounds were screened for antileishmanial activities. Compounds 1e, 1f, 2a, 2c, 2d, 2g, 2k, and 4a were found potentially active antileishmanial agents. Bioassay results show that the type and positions of the substituents seem to be critical for their antileishmanial activities.

  DOI：

  10.1007/s00044-011-9647-8
• 作为产物：
  描述：

  2-甲基乙酰苯胺 在 sodium hydroxide 、 三氯氧磷 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 生成 (2E)-3-(2-chloro-8-methylquinolin-3-yl)-1-(2,5-dichlorothien-3-yl)prop-2-en-1-one
  参考文献：
  名称：

  Novel quinolyl-thienyl chalcones and their 2-pyrazoline derivatives with diverse substitution pattern as antileishmanial agents against Leishmania major

  摘要：

  A series of twenty-two new pyrazoline derivatives was prepared from quinoline-based chalcones which in turn were synthesized by condensing formylquinolines with diverse acetylthiophenes. The titled compounds were characterized by spectroscopic techniques (NMR, IR and MS) and elemental analysis. All the compounds were screened for antileishmanial activities. Compounds 1e, 1f, 2a, 2c, 2d, 2g, 2k, and 4a were found potentially active antileishmanial agents. Bioassay results show that the type and positions of the substituents seem to be critical for their antileishmanial activities.

  DOI：

  10.1007/s00044-011-9647-8