3-[3'-parachlorophenyl-5'-methyl-4,5-dihydroisoxazol-5'-yl]-6-oxoheptanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 3-[3'-parachlorophenyl-5'-methyl-4,5-dihydroisoxazol-5'-yl]-6-oxoheptanoic acid
• 英文别名: 3-[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-6-oxoheptanoic acid
• 化学式: C₁₇H₂₀ClNO₄
• 分子量: 337.803
• InChiKey: INDHRAKQTIXIKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  76
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  Alpha,4-二氯苯甲醛肟 在 ruthenium trichloride sodium hydroxide 、 过碘酸 、 三乙胺 作用下， 以 四氯化碳 、 水 、 乙腈 为溶剂， 反应 75.0h， 生成 3-[3'-parachlorophenyl-5'-methyl-4,5-dihydroisoxazol-5'-yl]-6-oxoheptanoic acid
  参考文献：
  名称：

  Efficient Approach for the Synthesis of Novel Functionalized Isoxazolines from Limonene

  摘要：

  New functionalized isoxazolines were effeciently and easily prepared from limonene. The procedure involves a peri- and regioselective 1,3-dipolar cycloaddition of nitrile oxides on the monoterpene external double bond, followed by a highly chemoselective RuCl3-NaIO4 oxidative cleavage of the internal one. All the newly prepared isoxazolyl-ketoacids were fully characterized from their spectroscopic data.

  DOI：

  10.1080/00397910600943709

文献信息

• Efficient Approach for the Synthesis of Novel Functionalized Isoxazolines from Limonene
  作者：Amal Feddouli、My Youssef Ait Itto、Mustapha Ait Ali、Aïssa Hasnaoui、Abdelkhalek Riahi

  DOI：10.1080/00397910600943709

  日期：2006.11.1

  New functionalized isoxazolines were effeciently and easily prepared from limonene. The procedure involves a peri- and regioselective 1,3-dipolar cycloaddition of nitrile oxides on the monoterpene external double bond, followed by a highly chemoselective RuCl3-NaIO4 oxidative cleavage of the internal one. All the newly prepared isoxazolyl-ketoacids were fully characterized from their spectroscopic data.