N-(dipropoxyphosphorylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide | 172794-50-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(dipropoxyphosphorylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
• CAS: 172794-50-2
• 化学式: C₁₆H₂₃N₂O₇PS
• 分子量: 418.408
• InChiKey: UBWYPHRRASJUBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  128
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  sodium methylate 、 N-(dipropoxyphosphorylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide 以 甲醇 为溶剂， 反应 1.0h， 以32.4%的产率得到Methyl 2-[[2-(dipropoxyphosphorylmethylamino)-2-oxoethyl]sulfamoyl]benzoate
  参考文献：
  名称：

  A NOVEL SYNTHESIS OF (N-ARYLSULFONYL)-PHOSPHONODIPEPTIDE DERIVATIVES

  摘要：

  In order to search for highly active and selective herbicides, a new type of phosphonopeptide derivatives were designed and synthesized by Mannich-type or Arbuzov-type reaction directly. The structures of new products were confirmed by H-1 NMR, P-31 NMR, IR spectra, MS and elemental analyses. The results of bioassay showed that some of them possess potential herbicidal activity.

  DOI：

  10.1080/10426509908037035
• 作为产物：
  描述：

  3-氧代-1,2-苯并异噻唑啉-2-乙酰胺 1,1-二氧化物 在 溶剂黄146 作用下， 反应 7.0h， 生成 N-(dipropoxyphosphorylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
  参考文献：
  名称：

  A NOVEL SYNTHESIS OF (N-ARYLSULFONYL)-PHOSPHONODIPEPTIDE DERIVATIVES

  摘要：

  In order to search for highly active and selective herbicides, a new type of phosphonopeptide derivatives were designed and synthesized by Mannich-type or Arbuzov-type reaction directly. The structures of new products were confirmed by H-1 NMR, P-31 NMR, IR spectra, MS and elemental analyses. The results of bioassay showed that some of them possess potential herbicidal activity.

  DOI：

  10.1080/10426509908037035