[[(4-Methylbenzoyl)amino]-[5-(6-methyl-4-oxochromen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]phosphonic acid | 1225145-60-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: [[(4-Methylbenzoyl)amino]-[5-(6-methyl-4-oxochromen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]phosphonic acid
• CAS: 1225145-60-7
• 化学式: C₂₁H₁₈N₃O₇P
• 分子量: 455.364
• InChiKey: LKTBGKFOKKYZSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  152
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  6-methylchromone-2-carbonyl chloride 在 溶剂黄146 、 N,N-二甲基苯胺 作用下， 以 乙腈 为溶剂， 生成 [[(4-Methylbenzoyl)amino]-[5-(6-methyl-4-oxochromen-2-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

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.