phosphoric acid 2-[2-(3,4-dimethoxy-phenyl)-ethylimino]-1-(4-fluoro-phenyl)-vinyl ester diisopropyl ester | 1146344-25-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: phosphoric acid 2-[2-(3,4-dimethoxy-phenyl)-ethylimino]-1-(4-fluoro-phenyl)-vinyl ester diisopropyl ester
• CAS: 1146344-25-3
• 化学式: C₂₄H₃₁FNO₆P
• 分子量: 479.485
• InChiKey: WULVTCRSJSBRGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  75.6
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  phosphoric acid 2-[2-(3,4-dimethoxy-phenyl)-ethylimino]-1-(4-fluoro-phenyl)-vinyl ester diisopropyl ester 、 三甲基硅烷化重氮甲烷 以 正己烷 、 叔丁醇 为溶剂， 以50%的产率得到phosphoric acid (3-[2-(3,4-dimethoxy-phenyl)-ethyl]-3H-[1,2,3]triazol-4-yl)-(4-fluorophenyl)-methyl ester diisopropyl ester
  参考文献：
  名称：

  Isocyanide-Based Two-Step Three-Component Keteneimine Formation

  摘要：

  The addition of isocyanicles to acyl chlorides (isocyanide-Nef reaction) leads to imidoyl chlorides which can later be treated with trialkylphosphites to afford new keteneimines in a Perkow-type reaction. The whole sequence may be performed without any solvent, and the resulting keteneimine may easily be converted to phosphorylated tetrazoles and triazoles.

  DOI：

  10.1021/ol9004432
• 作为产物：
  描述：

  三异丙基亚磷酸酯 、 反应 0.08h， 以894 mg的产率得到phosphoric acid 2-[2-(3,4-dimethoxy-phenyl)-ethylimino]-1-(4-fluoro-phenyl)-vinyl ester diisopropyl ester
  参考文献：
  名称：

  Isocyanide-Based Two-Step Three-Component Keteneimine Formation

  摘要：

  The addition of isocyanicles to acyl chlorides (isocyanide-Nef reaction) leads to imidoyl chlorides which can later be treated with trialkylphosphites to afford new keteneimines in a Perkow-type reaction. The whole sequence may be performed without any solvent, and the resulting keteneimine may easily be converted to phosphorylated tetrazoles and triazoles.

  DOI：

  10.1021/ol9004432