[(4-diethoxyphosphoryl-5-morpholin-4-yl-1,3-oxazol-2-yl)methylideneamino]thiourea | 481648-90-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [(4-diethoxyphosphoryl-5-morpholin-4-yl-1,3-oxazol-2-yl)methylideneamino]thiourea
• CAS: 481648-90-2
• 化学式: C₁₃H₂₂N₅O₅PS
• 分子量: 391.388
• InChiKey: PNKXCAPNOBYMPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  157
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [(4-diethoxyphosphoryl-5-morpholin-4-yl-1,3-oxazol-2-yl)methylideneamino]thiourea 在 ammonium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 N-[2-[2-[(4-diethoxyphosphoryl-5-morpholin-4-yl-1,3-oxazol-2-yl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]acetamide
  参考文献：
  名称：

  摘要：

  Available N-(1,2,2,2-tetrachloroethyl)dichloroacetamide selectively reacts with trialkyl phosphites and triphenylphosphine, which was used for preparing polycentered electrophilic agents unusually reacting with piperidine and morpholine in the presence of water to give in high yields 4-dialkoxyphosphoryl- or 4-triphenylphosphonio-substituted oxazole-2-carbaldehydes containing piperidine or morpholine moiety in the 5-position. Their structure was determined by spectroscopy and also by chemical transformations into phenylhydrazones, thiosemicarbazones, aminals, and other functional derivatives of these two types of phosphorus-containing aldehydes of the oxazole series.

  DOI：

  10.1023/a:1015461315727
• 作为产物：
  描述：

  Diethyl 2,2,2-trichloro-1-[(dichloroacetyl)amino]ethylphosphonate 在 水 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 48.5h， 生成 [(4-diethoxyphosphoryl-5-morpholin-4-yl-1,3-oxazol-2-yl)methylideneamino]thiourea
  参考文献：
  名称：

  摘要：

  Available N-(1,2,2,2-tetrachloroethyl)dichloroacetamide selectively reacts with trialkyl phosphites and triphenylphosphine, which was used for preparing polycentered electrophilic agents unusually reacting with piperidine and morpholine in the presence of water to give in high yields 4-dialkoxyphosphoryl- or 4-triphenylphosphonio-substituted oxazole-2-carbaldehydes containing piperidine or morpholine moiety in the 5-position. Their structure was determined by spectroscopy and also by chemical transformations into phenylhydrazones, thiosemicarbazones, aminals, and other functional derivatives of these two types of phosphorus-containing aldehydes of the oxazole series.

  DOI：

  10.1023/a:1015461315727