2-(cyclohexylsulfanyl)-1-(3-methoxyphenyl)-1-ethanone | 1178700-26-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(cyclohexylsulfanyl)-1-(3-methoxyphenyl)-1-ethanone
• 英文别名: 2-Cyclohexylsulfanyl-1-(3-methoxyphenyl)ethanone
• CAS: 1178700-26-9
• 化学式: C₁₅H₂₀O₂S
• 分子量: 264.389
• InChiKey: GBQHULSPZMQMRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(cyclohexylsulfanyl)-1-(3-methoxyphenyl)-1-ethanone 、 2,4-二硝基苯肼 在 硫酸 作用下， 以 甲醇 、 乙醇 为溶剂， 以99%的产率得到2-(cyclohexylsulfanyl)-1-(3-methoxyphenyl)-1-ethanone N-(2,4-dinitrophenyl)hydrazone
  参考文献：
  名称：

  Synthesis and Conformational Features of 4-(Cyclohexylsulfanyl)-1-(2,4-dinitrophenyl)-3-aryl-1H-pyrazole

  摘要：

  [image omitted] A set of new 4-(cyclohexylsulfanyl)-1,3-diaryl-1H-pyrazoles has been synthesized using Vilsmeier's reagent. It is found that 4-(cyclohexylsulfanyl)-1-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-1H-pyrazole exists with the arylthio group in the equatorial position of the cyclohexyl group in solution, whereas it has the arylthio group in the axial position of the cyclohexyl group in crystal state as evidenced by NMR and single-crystal x-ray analysis respectively.

  DOI：

  10.1080/00397911.2010.493628
• 作为产物：
  描述：

  环己硫醇 、 2-溴-3‘-甲氧基苯乙酮 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 1.5h， 以92%的产率得到2-(cyclohexylsulfanyl)-1-(3-methoxyphenyl)-1-ethanone
  参考文献：
  名称：

  Synthesis and Conformational Features of 4-(Cyclohexylsulfanyl)-1-(2,4-dinitrophenyl)-3-aryl-1H-pyrazole

  摘要：

  [image omitted] A set of new 4-(cyclohexylsulfanyl)-1,3-diaryl-1H-pyrazoles has been synthesized using Vilsmeier's reagent. It is found that 4-(cyclohexylsulfanyl)-1-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-1H-pyrazole exists with the arylthio group in the equatorial position of the cyclohexyl group in solution, whereas it has the arylthio group in the axial position of the cyclohexyl group in crystal state as evidenced by NMR and single-crystal x-ray analysis respectively.

  DOI：

  10.1080/00397911.2010.493628

文献信息

• Synthesis and Conformational Features of 4-(Cyclohexylsulfanyl)-1-(2,4-dinitrophenyl)-3-aryl-1<i>H</i>-pyrazole
  作者：Ramaiyan Manikannan、Ramaiyan Venkatesan、Shanmugam Muthusubramanian

  DOI：10.1080/00397911.2010.493628

  日期：2011.7.1

  [image omitted] A set of new 4-(cyclohexylsulfanyl)-1,3-diaryl-1H-pyrazoles has been synthesized using Vilsmeier's reagent. It is found that 4-(cyclohexylsulfanyl)-1-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-1H-pyrazole exists with the arylthio group in the equatorial position of the cyclohexyl group in solution, whereas it has the arylthio group in the axial position of the cyclohexyl group in crystal state as evidenced by NMR and single-crystal x-ray analysis respectively.