ethyl 3-(formylmethyl)-2-ethyl-2-nitro-4-((tetrahydro-2H-pyran-2-yl)oxy)butanoate | 1352138-71-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 3-(formylmethyl)-2-ethyl-2-nitro-4-((tetrahydro-2H-pyran-2-yl)oxy)butanoate
• CAS: 1352138-71-6
• 化学式: C₁₅H₂₅NO₇
• 分子量: 331.366
• InChiKey: MQPAJDBGEUMUGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.72
• 重原子数：
  23.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  104.97
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  ethyl 3-(formylmethyl)-2-ethyl-2-nitro-4-((tetrahydro-2H-pyran-2-yl)oxy)butanoate 在 氯化铵 、 锌 作用下， 以 四氢呋喃 、 水 为溶剂， 以35%的产率得到ethyl 5-ethyl-4-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)-1-pyrroline-N-oxide-5-carboxylate
  参考文献：
  名称：

  Synthesis and characterization of 5-alkoxycarbonyl-4-hydroxymethyl-5-alkyl-pyrroline N-oxide derivatives

  摘要：

  The syntheses, analytical properties, and spin trapping behavior of four novel EMPO derivatives, namely 5-ethoxycarbonyl-4-hydroxymethyl-5-methyl-pyrroline N-oxide (EHMPO), 5-ethoxycarbonyl-5-ethyl-4-hydroxymethyl-pyrroline N-oxide (EEHPO), 4-hydroxymethyl-5-methyl-5-propoxycarbonyl-pyrroline N-oxide (HMPPO), and 4-hydroxymethyl-5-methyl-5-iso-propoxycarbonyl-pyrroline N-oxide (HMiPPO), towards different oxygen-and carbon-centered radicals are described. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.10.017
• 作为产物：
  描述：

  顺-4-(四氢吡喃-2-氧)-2-丁烯-1-醇 在 sodium acetate 、 三乙胺 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 2.0h， 生成 ethyl 3-(formylmethyl)-2-ethyl-2-nitro-4-((tetrahydro-2H-pyran-2-yl)oxy)butanoate
  参考文献：
  名称：

  Synthesis and characterization of 5-alkoxycarbonyl-4-hydroxymethyl-5-alkyl-pyrroline N-oxide derivatives

  摘要：

  The syntheses, analytical properties, and spin trapping behavior of four novel EMPO derivatives, namely 5-ethoxycarbonyl-4-hydroxymethyl-5-methyl-pyrroline N-oxide (EHMPO), 5-ethoxycarbonyl-5-ethyl-4-hydroxymethyl-pyrroline N-oxide (EEHPO), 4-hydroxymethyl-5-methyl-5-propoxycarbonyl-pyrroline N-oxide (HMPPO), and 4-hydroxymethyl-5-methyl-5-iso-propoxycarbonyl-pyrroline N-oxide (HMiPPO), towards different oxygen-and carbon-centered radicals are described. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.10.017