(2E)-1-(3-bromo-2-thienyl)-3-(4,5-dimethoxy-2-nitrophenyl) prop-2-en-1-one | 1198179-68-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (2E)-1-(3-bromo-2-thienyl)-3-(4,5-dimethoxy-2-nitrophenyl) prop-2-en-1-one
• 英文别名: 1-(3-Bromothiophen-2-yl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-en-1-one；1-(3-bromothiophen-2-yl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-en-1-one
• CAS: 1198179-68-8
• 化学式: C₁₅H₁₂BrNO₅S
• 分子量: 398.234
• InChiKey: NUDFNWAQEZBMGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-乙酰基-3-溴噻吩 、 6-硝基藜芦醛 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以68%的产率得到(2E)-1-(3-bromo-2-thienyl)-3-(4,5-dimethoxy-2-nitrophenyl) prop-2-en-1-one
  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.