(1-tert-butyl-1H-tetrazol-5-yl)-(diisopropoxy-phosphoryloxy)-acetic acid ethyl ester | 1146344-44-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (1-tert-butyl-1H-tetrazol-5-yl)-(diisopropoxy-phosphoryloxy)-acetic acid ethyl ester
• 英文别名: Ethyl 2-(1-tert-butyltetrazol-5-yl)-2-[oxido-di(propan-2-yloxy)phosphaniumyl]oxyacetate；ethyl 2-(1-tert-butyltetrazol-5-yl)-2-[oxido-di(propan-2-yloxy)phosphaniumyl]oxyacetate
• CAS: 1146344-44-6
• 化学式: C₁₅H₂₉N₄O₆P
• 分子量: 392.392
• InChiKey: AVMXEMJWSIQBHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  26
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  121
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3-tert-butylimino-2-(diisopropoxy-phosphoryloxy)-acrylic acid ethyl ester 在 叠氮基三甲基硅烷 作用下， 以 叔丁醇 为溶剂， 以55%的产率得到(1-tert-butyl-1H-tetrazol-5-yl)-(diisopropoxy-phosphoryloxy)-acetic acid ethyl 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

文献信息

• Isocyanide-Based Two-Step Three-Component Keteneimine Formation
  作者：Didier Coffinier、Laurent El Kaim、Laurence Grimaud

  DOI：10.1021/ol9004432

  日期：2009.4.16

  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.