dimethyl ((6-methyl-4-oxo-4H-chromen-3-yl)((2-nitrophenyl)amino)methyl)phosphonate | 1228270-21-0

• 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: dimethyl ((6-methyl-4-oxo-4H-chromen-3-yl)((2-nitrophenyl)amino)methyl)phosphonate
• CAS: 1228270-21-0
• 化学式: C₁₉H₁₉N₂O₇P
• 分子量: 418.343
• InChiKey: AOVQTPDTUDFUNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.61
• 重原子数：
  29.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  120.91
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  6-甲基-4-氧-4H-1-苯并吡喃-3-甲醛 、 2-硝基苯胺 、 亚磷酸二甲酯 以 甲苯 为溶剂， 以52.2%的产率得到dimethyl ((6-methyl-4-oxo-4H-chromen-3-yl)((2-nitrophenyl)amino)methyl)phosphonate
  参考文献：
  名称：

  Synthesis of Chromonyl-Containing α-Aminophosphonates

  摘要：

  A series of novel chromonyl-containing alpha-aminophosphonates were synthesized by a one-pot reaction from 3-formylchromones, substituted aromatic amines, and dialkylphosphites. Synthesized compounds were characterized by elemental analysis, and H-1 NMR and IR spectroscopy. Single crystal x-ray diffraction data of compound 6e was obtained, and analysis indicates that the crystal belongs to triclinic system with space group P-1, a = 9.4200(4) angstrom, b = 10.5970(6) angstrom, c = 12.3506(5) angstrom, alpha = 84.178(2)degrees, beta = 73.5830(10)degrees, gamma = 68.2720(10)degrees, V = 1098.59(9) angstrom(3), Z = 2, mu = 0.163 mm(-1), F(000) = 456, R[F-2>2 sigma(F-2)] = 0.0835, omega R(F-2) = 0.2328.

  DOI：

  10.1080/10426500802529127