3-(Methoxycarbonyl)-5-<2-<4,5-dimethoxy-3-<4-(dimethoxymethyl)phenoxy>phenyl>-1-ethyl>isoxazole | 152035-73-9

• 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-(Methoxycarbonyl)-5-<2-<4,5-dimethoxy-3-<4-(dimethoxymethyl)phenoxy>phenyl>-1-ethyl>isoxazole
• CAS: 152035-73-9
• 化学式: C₂₄H₂₇NO₈
• 分子量: 457.48
• InChiKey: OWANFKYPWBFDHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.35
• 重原子数：
  33.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  98.48
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  3-(Methoxycarbonyl)-5-<2-<4,5-dimethoxy-3-<4-(dimethoxymethyl)phenoxy>phenyl>-1-ethyl>isoxazole 在 lithium aluminium tetrahydride 、 二溴亚砜 作用下， 以 四氢呋喃 、 乙腈 、 苯 为溶剂， 反应 7.0h， 生成 5-<2-<4,5-Dimethoxy-3-(4-formylphenoxy)phenyl>-1-ethyl>-3-<(triphenylphosphonio)methyl>isoxazole
  参考文献：
  名称：

  Synthesis and revised structure of garuganin III

  摘要：

  Macrocyclic beta-methoxy enones 6 and 1-3, i.e., garuganin III and its constitutional and stereoisomers, were synthesized using an isoxazole synthon for the introduction of the beta-methoxy enone function. Ring closure was accomplished by an intramolecular Wittig reaction. Compound 6 rather than 1, as suggested previously, was found to have an H-1-NMR spectrum and a mp identical to those of garuganin III.

  DOI：

  10.1021/jo00076a036
• 作为产物：
  描述：

  3-(Methoxycarbonyl)-5-<2-<4,5-dimethoxy-3-<4-(dimethoxymethyl)phenoxy>phenyl>-1-ethenyl>isoxazole 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 生成 3-(Methoxycarbonyl)-5-<2-<4,5-dimethoxy-3-<4-(dimethoxymethyl)phenoxy>phenyl>-1-ethyl>isoxazole
  参考文献：
  名称：

  Synthesis and revised structure of garuganin III

  摘要：

  Macrocyclic beta-methoxy enones 6 and 1-3, i.e., garuganin III and its constitutional and stereoisomers, were synthesized using an isoxazole synthon for the introduction of the beta-methoxy enone function. Ring closure was accomplished by an intramolecular Wittig reaction. Compound 6 rather than 1, as suggested previously, was found to have an H-1-NMR spectrum and a mp identical to those of garuganin III.

  DOI：

  10.1021/jo00076a036