diethyl [5-methyl-3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]ethynylphosphonate | 1401619-34-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: diethyl [5-methyl-3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]ethynylphosphonate
• 英文别名: Diethyl [5-methyl-3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]ethynylphosphonate；5-(2-diethoxyphosphorylethynyl)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole
• CAS: 1401619-34-8
• 化学式: C₁₇H₂₂NO₅P
• 分子量: 351.339
• InChiKey: GOOPYQHTSCRSAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-(diethylphosphonyl)-2-methylbut-1-en-3-yne 、 ALPHA-氯-4-甲氧基苯甲醛肟 在 三乙胺 作用下， 以 乙醚 为溶剂， 以75%的产率得到diethyl [5-methyl-3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]ethynylphosphonate
  参考文献：
  名称：

  Synthesis of 3-aryl-5-diethoxyphosphorylethyne-4,5-dihydroisoxazoles

  摘要：

  A convenient preparative method has been developed for obtaining a vinylacetylene phosphonate. The reaction of arylnitrile oxides with 4-(diethylphosphoryl)-2-methylbut-1-en-3-yne proceeds as a regioselective 1,3-dipolar cycloaddition exclusively at the terminal double bond of vinylacetylene phosphonate.

  DOI：

  10.1007/s10593-012-1075-2

文献信息

• Synthesis of 3-aryl-5-diethoxyphosphorylethyne-4,5-dihydroisoxazoles
  作者：V. K. Brel’

  DOI：10.1007/s10593-012-1075-2

  日期：2012.9

  A convenient preparative method has been developed for obtaining a vinylacetylene phosphonate. The reaction of arylnitrile oxides with 4-(diethylphosphoryl)-2-methylbut-1-en-3-yne proceeds as a regioselective 1,3-dipolar cycloaddition exclusively at the terminal double bond of vinylacetylene phosphonate.