2-methyl-3-(2-chlorophenyl)-4,5-dicarboethoxy-Δ4-isoxazoline | 1263483-97-1

• 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-methyl-3-(2-chlorophenyl)-4,5-dicarboethoxy-Δ4-isoxazoline
• 英文别名: diethyl 3-(2-chlorophenyl)-2-methyl-3H-1,2-oxazole-4,5-dicarboxylate
• CAS: 1263483-97-1
• 化学式: C₁₆H₁₈ClNO₅
• 分子量: 339.776
• InChiKey: KZVOGWDLWSNPGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  C-(2-chlorophenyl) N-methyl nitrone 、 丁炔二酸二乙酯 在 四氯化钛 作用下， 反应 0.05h， 以93%的产率得到2-methyl-3-(2-chlorophenyl)-4,5-dicarboethoxy-Δ4-isoxazoline
  参考文献：
  名称：

  Rapid, Highly Efficient, and Room-Temperature TiCl₄-Catalyzed Synthesis of Δ⁴-Isoxazolines Under Solvent-Free Conditions

  摘要：

  4-Isoxazoline derivatives were synthesized in excellent yields via the titanium tetrachloride-catalyzed 1,3-dipolar cycloaddition reaction of nitrones with ,-unsaturated compounds under neat conditions at room temperatures in very short reaction time.

  DOI：

  10.1080/00397910903537349

文献信息

• Rapid, Highly Efficient, and Room-Temperature TiCl₄-Catalyzed Synthesis of Δ⁴-Isoxazolines Under Solvent-Free Conditions
  作者：Hassan Valizadeh、Leila Dinparast

  DOI：10.1080/00397910903537349

  日期：2010.12.22

  4-Isoxazoline derivatives were synthesized in excellent yields via the titanium tetrachloride-catalyzed 1,3-dipolar cycloaddition reaction of nitrones with ,-unsaturated compounds under neat conditions at room temperatures in very short reaction time.