5-Morpholin-4-yl-2,7-diphenyl-1,6-dioxa-3,4,8,9-tetraza-5lambda5-phosphaspiro[4.4]nona-2,7-diene | 1402821-07-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 5-Morpholin-4-yl-2,7-diphenyl-1,6-dioxa-3,4,8,9-tetraza-5lambda5-phosphaspiro[4.4]nona-2,7-diene
• 英文别名: 5-morpholin-4-yl-2,7-diphenyl-1,6-dioxa-3,4,8,9-tetraza-5λ5-phosphaspiro[4.4]nona-2,7-diene
• CAS: 1402821-07-1
• 化学式: C₁₈H₂₀N₅O₃P
• 分子量: 385.362
• InChiKey: GNDSHUCOPVAWOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  79.7
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  苯甲酰肼 在 三氯氧磷 作用下， 以 四氯化碳 、 乙腈 为溶剂， 反应 9.0h， 生成 5-Morpholin-4-yl-2,7-diphenyl-1,6-dioxa-3,4,8,9-tetraza-5lambda5-phosphaspiro[4.4]nona-2,7-diene
  参考文献：
  名称：

  A phosphoryl to spiro-bicyclophosphorane transformation via β-amidic proton elimination in phosphorylated hydrazides

  摘要：

  The reaction between phosphoryl-containing reagents and hydrazides has been studied. The tetrahedral phosphoryl structure is transformed into a spiro-bicyclophosphorane system with trigonal bipyramidal geometry by the elimination of a beta-amidic proton in the reaction between a hydrazide and phosphoryl reagents with at least two leaving groups (Cl) bound to the phosphorus atom, such as POCl3 or PhPOCl2. In the spiro-bicyclophosphorane structure, the C=N imine bond is formed upon beta-amidic proton elimination, leading to the conversion of the C=O into a C-O bond and the formation of a P-O bond. All of these structural rearrangements are supported by X-ray crystallography data, and NMR and IR experiments. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.08.105