1-(二乙氧基氧膦基)咪唑 | 16913-98-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-(二乙氧基氧膦基)咪唑
• 英文名称: N-(diethoxyphosphoryl)imidazole
• 英文别名: diethyl imidazolidophosphate；1-(Diethoxyphosphinyl)imidazole；Diethylphosphorsaeureimidazolid；N-(O,O-Diaethyl-phosphono)-imidazol；imidazol-1-yl-phosphonic acid diethyl ester；Diaethyl imidazol-1-ylphosphonat；1-(Diaethylphosphoryl)imidazol；Diethylphosphatimidazolid；1-Diethoxyphosphorylimidazole
• CAS: 16913-98-7
• 化学式: C₇H₁₃N₂O₃P
• 分子量: 204.166
• InChiKey: XSYMEDHIOXKUJG-UHFFFAOYSA-N

物化性质

• 沸点：
  79-80 °C(Press: 0.3 Torr)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  53.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(二乙氧基氧膦基)咪唑 生成 diethyl phosphate
  参考文献：
  名称：

  Phosphorylimidazole Derivatives: Potentially Biosignaling Molecules

  摘要：

  The phosphorylation of imidazole by two activated phosphate diesters and a triester gives phosphorylimidazole derivatives that are stable enough in aqueous solution to be observed and identified by ESI-MS/MS and NMR Half-lives ranging from hours to days (in the case of the monoethyl ester) show that it is possible to design molecules with variable half-lives with potential to be used for biological intervention experiments as possible inhibitors of biosignaling processes or as haptens for the generation of antibodies.

  DOI：

  10.1021/jo2017394
• 作为产物：
  描述：

  O,O'-diethylphosphoric imidazolidosulfuric anhydride 生成 1-(二乙氧基氧膦基)咪唑
  参考文献：
  名称：

  DABKOWSKI, W.;MICHALSKI, J.;SKRZYPCZYNSKI, Z., CHEM. BER., 1985, 118, N 5, 1809-1824

  摘要：

  DOI：

文献信息

• A new synthesis of phosphorofluoridates of biological interest. The reaction of phosphoroazolides with benzoyl fluoride
  作者：Wojciech Dabkowski、Friedrich Cramer、Jan Michalski

  DOI：10.1016/s0040-4039(00)95535-7

  日期：1987.1

  Phosphoroazolides, including nucleoside derivatives, can be converted smoothly into the corresponding phosphorofluoridates by reaction with benzoyl flouride. From these compounds oligonucleotides containing → P-F instead of → P-OH can be prepared.

  通过与苯甲酰基氟化物反应，可以将包括核苷衍生物在内的偶氮磷内酯平稳地转化为相应的氟代磷酸酯。由这些化合物可以制备含有→PF而不是→P-OH的寡核苷酸。
• Dabkowski, Wojciech; Michalski, Jan; Skrzypczynski, Zbigniew, Chemische Berichte, 1985, vol. 118, # 5, p. 1809 - 1824
  作者：Dabkowski, Wojciech、Michalski, Jan、Skrzypczynski, Zbigniew

  DOI：——

  日期：——
• Dabkowski, W.; Michalski, J.; Skrzypczynski, Z., Phosphorus and Sulfur and the Related Elements, 1986, vol. 26, p. 321 - 326
  作者：Dabkowski, W.、Michalski, J.、Skrzypczynski, Z.

  DOI：——

  日期：——
• Dabkowski, Wojciech; Michalski, Jan; Wasiak, Jacek, Journal of the Chemical Society. Perkin transactions I, 1994, # 7, p. 817 - 820
  作者：Dabkowski, Wojciech、Michalski, Jan、Wasiak, Jacek、Cramer, Friedrich

  DOI：——

  日期：——
• Transfer of the diethoxyphosphoryl group [(EtO)2PO] between imidazole and aryloxy anion nucleophiles
  作者：Salem A. Ba-Saif、Andrew Williams

  DOI：10.1021/jo00245a015

  日期：1988.5