N'-[4-diethoxyphosphoryl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-2-oxochromene-3-carbohydrazide | 1225163-98-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: N'-[4-diethoxyphosphoryl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-2-oxochromene-3-carbohydrazide
• CAS: 1225163-98-3
• 化学式: C₂₄H₂₄N₃O₇P
• 分子量: 497.444
• InChiKey: NQXCANIIOUMYRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N'-[4-diethoxyphosphoryl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-2-oxochromene-3-carbohydrazide 在 溶剂黄146 作用下， 以86%的产率得到({[(4-methylphenyl)carbonyl]amino}[5-(2-oxo-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]methyl)phosphonic acid
  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
• 作为产物：
  描述：

  [2,2-Dichloro-1-(4-methyl-benzoylamino)-vinyl]-phosphonic acid diethyl ester 在 一水合肼 、 N,N-二甲基苯胺 作用下， 以 乙腈 为溶剂， 生成 N'-[4-diethoxyphosphoryl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-2-oxochromene-3-carbohydrazide
  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

文献信息

• Synthesis of C-heteryl-substituted aminomethylphosphonic acids derivatives
  作者：A. V. Golovchenko、R. N. Solomyannyi、V. S. Brovarets

  DOI：10.1134/s1070363210040067

  日期：2010.4

  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.