diethyl 5-hydrazino-2-(4-methylphenyl)-1,3-oxazol-4-ylphosphonate | 1236574-37-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: diethyl 5-hydrazino-2-(4-methylphenyl)-1,3-oxazol-4-ylphosphonate
• 英文别名: [4-diethoxyphosphoryl-2-(4-methylphenyl)-1,3-oxazol-5-yl]hydrazine
• CAS: 1236574-37-0
• 化学式: C₁₄H₂₀N₃O₄P
• 分子量: 325.304
• InChiKey: SKKRDKLWKHJPIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  99.6
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  diethyl 5-hydrazino-2-(4-methylphenyl)-1,3-oxazol-4-ylphosphonate 以 乙醚 、 乙腈 为溶剂， 反应 2.08h， 生成
  参考文献：
  名称：

  Reaction of diethyl 5-hydrazino-2-(4-methylphenyl)-1,3-oxazol-4-ylphosphonate with acyl isothiocyanates

  摘要：

  The reactions of diethyl 5-hydrazino-2-(4-methylphenyl)-1,3-oxazol-4-ylphosphonate with acetyl, benzoyl, and ethoxycarbonyl isothiocyanates result in the previously unknown (1,3,4-thiadiazol-2-yl)-substituted aminomethylphosphonic acids.

  DOI：

  10.1134/s1070363212110060
• 作为产物：
  描述：

  [2,2-Dichloro-1-(4-methyl-benzoylamino)-vinyl]-phosphonic acid diethyl ester 在 一水合肼 作用下， 生成 diethyl 5-hydrazino-2-(4-methylphenyl)-1,3-oxazol-4-ylphosphonate
  参考文献：
  名称：

  Synthesis of C-heteryl-substituted aminomethylphosphonic acids derivatives

  摘要：

  The available diethyl 5-hydrazino-2-p-tolyl-1,3-oxazol-1-ylphosphonate was readily acylated with chlorides of carboxylic acids of heterocyclic series. On heating in acetic acid it underwent the oxazole ring cleavage, recyclization and diethylation that was used to prepar the substituted 2-p-toluylaminomethylphosphonic acids containing a series of 2-heteryl-1,3,4-oxadiazol-5-yl residues in the alpha-position relative to the phosponyl group.

  DOI：

  10.1134/s1070363210040067