3-(3-((4-chlorophenyl)amino)-5-methylisoxazol-4-yl)propan-1-ol | 1352944-05-8

• 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: 3-(3-((4-chlorophenyl)amino)-5-methylisoxazol-4-yl)propan-1-ol
• 英文别名: 3-[3-(4-Chloroanilino)-5-methyl-1,2-oxazol-4-yl]propan-1-ol
• CAS: 1352944-05-8
• 化学式: C₁₃H₁₅ClN₂O₂
• 分子量: 266.727
• InChiKey: ZFFXUHRUOJGTGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  58.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-[6-(4-chlorophenylamino)-3,4-dihydro-2H-pyran-5-yl]ethanone 在 羟胺 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以86%的产率得到3-(3-((4-chlorophenyl)amino)-5-methylisoxazol-4-yl)propan-1-ol
  参考文献：
  名称：

  Regioselective Synthesis of 3-Arylamino- and 5-Arylaminoisoxazoles from Enaminones

  摘要：

  A highly regioselective synthesis of 3-arylamino- and 5-arylaminoisoxazoles from enaminones based on reaction condition selection is reported. 3-Arylaminoisoxazoles were produced by treating enaminones with aqueous hydroxylamine in OAF at 100 degrees C, whereas 5-arylaminoisoxazoles were synthesized by subjecting enaminones to aqueous hydroxylamine in the presence of KOH and TBAB in water under reflux. A mechanism for the regioselective synthesis of 3-arylamino- and 5-arylaminoisoxazoles is proposed.

  DOI：

  10.1021/ol203282h

文献信息

• Regioselective Synthesis of 3-Arylamino- and 5-Arylaminoisoxazoles from Enaminones
  作者：Dexuan Xiang、Xiaoqing Xin、Xu Liu、Rui Zhang、Jiming Yang、Dewen Dong

  DOI：10.1021/ol203282h

  日期：2012.1.20

  A highly regioselective synthesis of 3-arylamino- and 5-arylaminoisoxazoles from enaminones based on reaction condition selection is reported. 3-Arylaminoisoxazoles were produced by treating enaminones with aqueous hydroxylamine in OAF at 100 degrees C, whereas 5-arylaminoisoxazoles were synthesized by subjecting enaminones to aqueous hydroxylamine in the presence of KOH and TBAB in water under reflux. A mechanism for the regioselective synthesis of 3-arylamino- and 5-arylaminoisoxazoles is proposed.