1-(5-tert-butyl-2-methoxyphenyl)-N-phenylmethanimine oxide | 782460-66-6

• 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: 1-(5-tert-butyl-2-methoxyphenyl)-N-phenylmethanimine oxide
• CAS: 782460-66-6
• 化学式: C₁₈H₂₁NO₂
• 分子量: 283.37
• InChiKey: KSGFRIIEFJFVJH-UHFFFAOYSA-N

物化性质

• 沸点：
  436.6±55.0 °C(Predicted)
• 密度：
  1.075±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  38
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(5-tert-butyl-2-methoxyphenyl)-N-phenylmethanimine oxide 、 2-(2-nitro-1(Z)-ethenyl)thiophene 以 甲苯 为溶剂， 反应 6.0h， 以85%的产率得到3-(5-tert-butyl-2-methoxyphenyl)-4-nitro-2-phenyl-5-(thiophen-2-yl)isoxazolidine
  参考文献：
  名称：

  3-(5-Substituted 2-Methoxyphenyl)-4-Nitro-2-Phenyl-5-Thiophene-2-yl-Isoxazolidines - Synthesis and Conformational Studies

  摘要：

  The synthesis of a new set of 2,3,4,5-substituted isoxazolidines having a sulfur containing heterocyclic moiety has been described. The structural features of the compounds have been analyzed by H-1 and C-13 NMR spectroscopy as well as by single crystal X-ray studies.

  DOI：

  10.1080/10426507.2011.568027

文献信息

• 3-(5-Substituted 2-Methoxyphenyl)-4-Nitro-2-Phenyl-5-Thiophene-2-yl-Isoxazolidines - Synthesis and Conformational Studies
  作者：S. R. Jayapradha、S. Muthusubramanian

  DOI：10.1080/10426507.2011.568027

  日期：2012.1.1

  The synthesis of a new set of 2,3,4,5-substituted isoxazolidines having a sulfur containing heterocyclic moiety has been described. The structural features of the compounds have been analyzed by H-1 and C-13 NMR spectroscopy as well as by single crystal X-ray studies.