ethyl 2-(2-((diethoxyphosphoryl)(4-(dimethylamino)phenyl)methylamino)thiazol-4-yl)-2-(methoxyimino)acetate | 1456776-33-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 2-(2-((diethoxyphosphoryl)(4-(dimethylamino)phenyl)methylamino)thiazol-4-yl)-2-(methoxyimino)acetate
• CAS: 1456776-33-2
• 化学式: C₂₁H₃₁N₄O₆PS
• 分子量: 498.54
• InChiKey: ICCYRZIHIQARJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  33.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  111.58
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  亚磷酸二乙酯 、 对二甲氨基苯甲醛 、 2-(2-氨基噻唑-4-基)-2-甲氧亚氨基乙酸乙酯 在 Amberlyst-15 作用下， 以 neat (no solvent) 为溶剂， 反应 0.58h， 以81%的产率得到ethyl 2-(2-((diethoxyphosphoryl)(4-(dimethylamino)phenyl)methylamino)thiazol-4-yl)-2-(methoxyimino)acetate
  参考文献：
  名称：

  Synthesis and Bioassay of Ethyl-2- (2-((Diethoxyphosphoryl) (Aryl) Methylamino)Thiazol-4-Yl)-2-(Methoxyimino)Acetates

  摘要：

  A simple, efficient, and environmentally benign methodology has been accomplished for the synthesis of alpha-aminophosphonates by one-pot three-component reaction of ethyl-2-amino-alpha-(methoxy-imino)-4-thiazoleacetate, aldehydes, and diethylphosphite by using Amberlyst-15 as catalyst at room temperature under solvent-free conditions. Their chemical structures were characterized by infrared (IR), NMR (H-1, C-13 & P-31), mass spectral, and elemental analysis. All the title compounds were screened for radical-scavenging activity by 1,1-diphenyl-2-picrylhydrazyl (DPPH), nitic oxide (NO), and hydrogen peroxide (H2O2) methods. Supplementary materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements for the following free supplemental files: Additional text and figures.

  DOI：

  10.1080/10426507.2013.769982