2-{[(5-phenylisoxazole-3-yl)methyl]sulfanyl}ethanol

• 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: 2-{[(5-phenylisoxazole-3-yl)methyl]sulfanyl}ethanol
• 英文别名: 2-{[(5-Phenylisoxazole-3-yl)methyl]sulfanyl}-ethanol；2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]ethanol
• 化学式: C₁₂H₁₃NO₂S
• mdl: MFCD12180211
• 分子量: 235.307
• InChiKey: WZXYGZNRAMVUDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  71.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (5-苯基异噁唑-3-基)甲醇 在 氯化亚砜 、 sodium methylate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 8.0h， 生成 2-{[(5-phenylisoxazole-3-yl)methyl]sulfanyl}ethanol
  参考文献：
  名称：

  Synthesis of functional isoxazole derivatives proceeding from (5-arylisoxazol-3-yl)chloromethanes

  摘要：

  Reaction of 3-chloromethyl-5-phenyl(p-tolyl)isoxazoles with substituted phenols under the conditions of Williamson reaction afforded the corresponding 3-aryloxymethyl-5-phenyl(p-tolyl)isoxazoles. Treating the latter with sodium methylate, sodium phenyl(benzyl, furfuryl)thiolates and morpholine in methanol resulted in the replacement of the chlorine atom in 3-chloromethyl-5-phenyl(p-tolyl)isoxazoles by methoxy-, phenyl-(benzyl, furfuryl)sulfanyl groups and morpholine residue.

  DOI：

  10.1134/s1070428015080102

文献信息

• Synthesis of functional isoxazole derivatives proceeding from (5-arylisoxazol-3-yl)chloromethanes
  作者：V. I. Potkin、N. A. Bumagin、S. K. Petkevich、E. A. Dikusar、E. V. Semenova、P. V. Kurman、R. M. Zolotar’、S. G. Pashkevich、T. A. Gurinovich、V. A. Kul’chitskii

  DOI：10.1134/s1070428015080102

  日期：2015.8

  Reaction of 3-chloromethyl-5-phenyl(p-tolyl)isoxazoles with substituted phenols under the conditions of Williamson reaction afforded the corresponding 3-aryloxymethyl-5-phenyl(p-tolyl)isoxazoles. Treating the latter with sodium methylate, sodium phenyl(benzyl, furfuryl)thiolates and morpholine in methanol resulted in the replacement of the chlorine atom in 3-chloromethyl-5-phenyl(p-tolyl)isoxazoles by methoxy-, phenyl-(benzyl, furfuryl)sulfanyl groups and morpholine residue.