2-((3-nitrophenoxy)methyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole | 1357853-73-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-((3-nitrophenoxy)methyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
• CAS: 1357853-73-6
• 化学式: C₁₇H₁₂N₄O₃S
• 分子量: 352.373
• InChiKey: HJUPFINJLJODMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.95
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  82.56
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  吗啉 、 聚合甲醛 、 2-((3-nitrophenoxy)methyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 8.0h， 以82%的产率得到4-[[2-[(3-Nitrophenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]morpholine
  参考文献：
  名称：

  Synthesis and X-ray characterization of 2,5,6-trisubstituted imidazo[2,1-b][1,3,4]thiadiazole derivatives

  摘要：

  AbstractA series of 2,5,6‐trisubstituted imidazo[2,1‐b][1,3,4]thiadiazoles via Mannich reaction of imidazo[2,1‐b][1,3,4]thiadiazoles with morpholine and formaldehyde were synthesized. Structures of all the newly synthesized compounds are well supported by spectral data such as IR, NMR, Mass, and Elemental analysis. Compound 3a has been confirmed by X‐ray diffraction studies. J. Heterocyclic Chem., (2012).

  DOI：

  10.1002/jhet.678
• 作为产物：
  描述：

  2-溴苯乙酮 、 5-(3-Nitro-phenoxymethyl)-[1,3,4]thiadiazol-2-ylamine 以 乙醇 为溶剂， 生成 2-((3-nitrophenoxy)methyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
  参考文献：
  名称：

  Synthesis and X-ray characterization of 2,5,6-trisubstituted imidazo[2,1-b][1,3,4]thiadiazole derivatives

  摘要：

  AbstractA series of 2,5,6‐trisubstituted imidazo[2,1‐b][1,3,4]thiadiazoles via Mannich reaction of imidazo[2,1‐b][1,3,4]thiadiazoles with morpholine and formaldehyde were synthesized. Structures of all the newly synthesized compounds are well supported by spectral data such as IR, NMR, Mass, and Elemental analysis. Compound 3a has been confirmed by X‐ray diffraction studies. J. Heterocyclic Chem., (2012).

  DOI：

  10.1002/jhet.678