<(3'-phenyl-2'H-azirin-2'-yl)methyl>phosphonic acid diethyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 叠氮烷
• 英文名称: <(3'-phenyl-2'H-azirin-2'-yl)methyl>phosphonic acid diethyl ester
• 英文别名: <(3-Phenyl-2H-azirin-2-yl)methyl>phosphonsaeure-diethylester；2-(diethoxyphosphorylmethyl)-3-phenyl-2H-azirine
• 化学式: C₁₃H₁₈NO₃P
• 分子量: 267.265
• InChiKey: GKBYIUQAGYVIEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ((Z)-3-Azido-3-phenyl-allyl)-phosphonic acid diethyl ester 生成 <(3'-phenyl-2'H-azirin-2'-yl)methyl>phosphonic acid diethyl ester
  参考文献：
  名称：

  NMR spectroscopy of organophosphorus compounds II: Stereochemistry of [1-(2H-azirin-2-yl)alkyl]phosphonates

  摘要：

  The conformation and relative configuration of [1-(2H-azirin-2-yl)alkyl]phosphonates (2) has been established by thorough investigation of some characteristic representatives of the series by H-1, C-13, N-15, and P-31 NMR spectroscopy. It is shown that the chemical shift of the proton located alpha to the phosphonate group can be used as a criterion for the discrimination and stereochemical assignment of diastereoisomers. NMR spectroscopic features of the compounds are discussed in terms of structural relationships.

  DOI：

  10.1007/bf00811518

文献信息

• Oehler, Elisabeth; Kanzler, Silvia, Liebigs Annalen der Chemie, 1994, # 9, p. 867 - 876
  作者：Oehler, Elisabeth、Kanzler, Silvia

  DOI：——

  日期：——
• NMR spectroscopy of organophosphorus compounds II: Stereochemistry of [1-(2H-azirin-2-yl)alkyl]phosphonates
  作者：H. Kalchhauser、E. �hler

  DOI：10.1007/bf00811518

  日期：1994.10

  The conformation and relative configuration of [1-(2H-azirin-2-yl)alkyl]phosphonates (2) has been established by thorough investigation of some characteristic representatives of the series by H-1, C-13, N-15, and P-31 NMR spectroscopy. It is shown that the chemical shift of the proton located alpha to the phosphonate group can be used as a criterion for the discrimination and stereochemical assignment of diastereoisomers. NMR spectroscopic features of the compounds are discussed in terms of structural relationships.