(E)-3-(3,4-dichlorophenyl)-1-(7-hydroxy-2,2-dimethylchroman-6-yl)prop-2-en-1-one | 1513925-52-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (E)-3-(3,4-dichlorophenyl)-1-(7-hydroxy-2,2-dimethylchroman-6-yl)prop-2-en-1-one
• 英文别名: (E)-3-(3,4-dichlorophenyl)-1-(7-hydroxy-2,2-dimethyl-chroman-6-yl)prop-2-en-1-one；(E)-3-(3,4-dichlorophenyl)-1-(7-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)prop-2-en-1-one
• CAS: 1513925-52-4
• 化学式: C₂₀H₁₈Cl₂O₃
• 分子量: 377.267
• InChiKey: XVRQRCGQWBQDHV-GQCTYLIASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-3-(3,4-dichlorophenyl)-1-(7-hydroxy-2,2-dimethylchroman-6-yl)prop-2-en-1-one 在 sodium acetate 、 一水合肼 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.05h， 以86%的产率得到6-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,2-dimethylchroman-7-ol
  参考文献：
  名称：

  Microwave-assisted synthesis and antimicrobial evaluation of novel pyrazolines

  摘要：

  A series of 6-(5-aryl-4,5-dihydro-1H-pyrazol-3-yl)-2,2-dimethylchroman-7-ol and 6-(5-aryl-4,5-dihydro-1H-pyrazol-3-yl)-2,2-dimethyl-chroman-5-ol derivatives have been synthesized from the corresponding chalcones and hydrazine hydrate in the presence of sodium acetate under microwave irradiation involving the Michael addition followed by cycloaddition. All the newly synthesized 18 compounds were screened for their in vitro antimicrobial activity. Most of the compounds displayed very good to excellent antimicrobial activity in comparison to standard drugs streptomycin and nystatin.

  DOI：

  10.1007/s10593-015-1790-6
• 作为产物：
  描述：

  天然橡胶 在 potassium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 正庚烷 为溶剂， 生成 (E)-3-(3,4-dichlorophenyl)-1-(7-hydroxy-2,2-dimethylchroman-6-yl)prop-2-en-1-one
  参考文献：
  名称：

  Microwave-assisted synthesis and antimicrobial evaluation of novel pyrazolines

  摘要：

  A series of 6-(5-aryl-4,5-dihydro-1H-pyrazol-3-yl)-2,2-dimethylchroman-7-ol and 6-(5-aryl-4,5-dihydro-1H-pyrazol-3-yl)-2,2-dimethyl-chroman-5-ol derivatives have been synthesized from the corresponding chalcones and hydrazine hydrate in the presence of sodium acetate under microwave irradiation involving the Michael addition followed by cycloaddition. All the newly synthesized 18 compounds were screened for their in vitro antimicrobial activity. Most of the compounds displayed very good to excellent antimicrobial activity in comparison to standard drugs streptomycin and nystatin.

  DOI：

  10.1007/s10593-015-1790-6