ethyl 4-(3-bromothien-2-yl)-2-oxo-6-(2,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxylate | 1198179-78-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 4-(3-bromothien-2-yl)-2-oxo-6-(2,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxylate
• 英文别名: Ethyl 4-(3-bromothiophen-2-yl)-6-(2,5-dimethoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
• CAS: 1198179-78-0
• 化学式: C₂₁H₂₁BrO₅S
• 分子量: 465.365
• InChiKey: DKYQCBIMBMCMRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  90.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (2E)-1-(3-bromo-2-thienyl)-3-(2, 5-dimethoxyphenyl) prop-2-en-1-one 、 乙酰乙酸乙酯 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以77%的产率得到ethyl 4-(3-bromothien-2-yl)-2-oxo-6-(2,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxylate
  参考文献：
  名称：

  Synthesis and Characterization of Some Novel 3-Bromo-2-acetylthiophene Chalcones and Biological Evaluation of Their Ethyl-4-(3-bromothien-2-yl)-2-oxo-6-(aryl)cyclohex-3-ene-1-carboxylate Derivatives

  摘要：

  Novel chalcones 1-(3-bromothien-2-yl)-3-(aryl) prop-2-en-1-ones derived from 3-bromo- 2-acetylthiophene and their cyclization product with ethylacetoacetate such as 4-(3-bromothien-2-yl)-2-oxo-6-(aryl)cyclohex-3-ene-1-carboxylate derivatives were synthesized and studied by X-ray, analytical, and spectralmethods. Compounds were screened for their anti-inflammatory, analgesic, and antimicrobial activities. The compound ethyl-4-(3-bromothien-2-yl)-2-oxo-6-(4-propoxyphenyl) cyclohex-3-ene-1-carboxylate5c exhibited promising anti-inflammatory, analgesic and antibacterial activities.

  DOI：

  10.1080/10426500802414189

文献信息

• Synthesis and Characterization of Some Novel 3-Bromo-2-acetylthiophene Chalcones and Biological Evaluation of Their Ethyl-4-(3-bromothien-2-yl)-2-oxo-6-(aryl)cyclohex-3-ene-1-carboxylate Derivatives
  作者：B. V. Ashalatha、B. Narayana、K. K. Vijaya Raj

  DOI：10.1080/10426500802414189

  日期：2009.7.13

  Novel chalcones 1-(3-bromothien-2-yl)-3-(aryl) prop-2-en-1-ones derived from 3-bromo- 2-acetylthiophene and their cyclization product with ethylacetoacetate such as 4-(3-bromothien-2-yl)-2-oxo-6-(aryl)cyclohex-3-ene-1-carboxylate derivatives were synthesized and studied by X-ray, analytical, and spectralmethods. Compounds were screened for their anti-inflammatory, analgesic, and antimicrobial activities. The compound ethyl-4-(3-bromothien-2-yl)-2-oxo-6-(4-propoxyphenyl) cyclohex-3-ene-1-carboxylate5c exhibited promising anti-inflammatory, analgesic and antibacterial activities.