3-(2,3,4-trimethoxyphenyl)-2-methyl-5-trichloromethyl-Δ⁴-1,2,4-oxadiazoline | 1037455-26-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(2,3,4-trimethoxyphenyl)-2-methyl-5-trichloromethyl-Δ⁴-1,2,4-oxadiazoline
• 英文别名: 2-methyl-5-(trichloromethyl)-3-(2,3,4-trimethoxyphenyl)-3H-1,2,4-oxadiazole
• CAS: 1037455-26-7
• 化学式: C₁₃H₁₅Cl₃N₂O₄
• 分子量: 369.632
• InChiKey: RGUHYRSIAHXKLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  52.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(2,3,4-trimethoxyphenyl)-2-methyl-5-trichloromethyl-Δ⁴-1,2,4-oxadiazoline 以 氘代氯仿 为溶剂， 反应 192.0h， 生成
  参考文献：
  名称：

  Synthesis of 5-trichloromethyl-Δ4-1,2,4-oxadiazolines and their rearrangement into formamidine derivatives

  摘要：

  A series of 5-trichloro-Delta(4)-1,2,4-oxadiazolines have been synthesised by 1,3-dipolar cycloaddition of nitrones to trichloroacetonitrile. These oxadiazolines rearrange into formamidine derivatives, via ring opening and a 1,2-aryl shift from carbon to the adjacent amino nitrogen. Both cycloaddition and rearrangement are facilitated when electron deficient nitriles and electron rich nitrones are used. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2008.04.012
• 作为产物：
  描述：

  (Z)-C-(2,3,4-trimethoxyphenyl)-N-methyl-nitrone 、 三氯乙腈 以 氘代氯仿 为溶剂， 反应 3.0h， 以100%的产率得到3-(2,3,4-trimethoxyphenyl)-2-methyl-5-trichloromethyl-Δ⁴-1,2,4-oxadiazoline
  参考文献：
  名称：

  Synthesis of 5-trichloromethyl-Δ4-1,2,4-oxadiazolines and their rearrangement into formamidine derivatives

  摘要：

  A series of 5-trichloro-Delta(4)-1,2,4-oxadiazolines have been synthesised by 1,3-dipolar cycloaddition of nitrones to trichloroacetonitrile. These oxadiazolines rearrange into formamidine derivatives, via ring opening and a 1,2-aryl shift from carbon to the adjacent amino nitrogen. Both cycloaddition and rearrangement are facilitated when electron deficient nitriles and electron rich nitrones are used. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2008.04.012

文献信息

• Synthesis of 5-trichloromethyl-Δ4-1,2,4-oxadiazolines and their rearrangement into formamidine derivatives
  作者：Gabriele Wagner、Tim Garland

  DOI：10.1016/j.tetlet.2008.04.012

  日期：2008.5

  A series of 5-trichloro-Delta(4)-1,2,4-oxadiazolines have been synthesised by 1,3-dipolar cycloaddition of nitrones to trichloroacetonitrile. These oxadiazolines rearrange into formamidine derivatives, via ring opening and a 1,2-aryl shift from carbon to the adjacent amino nitrogen. Both cycloaddition and rearrangement are facilitated when electron deficient nitriles and electron rich nitrones are used. (C) 2008 Published by Elsevier Ltd.