dimethyl-N-ethylphosphoramidate | 20464-99-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: dimethyl-N-ethylphosphoramidate
• 英文别名: N-Ethyl-O,O-dimethyl-phosphorsaeureamid；N-dimethoxyphosphorylethanamine
• CAS: 20464-99-7
• 化学式: C₄H₁₂NO₃P
• 分子量: 153.118
• InChiKey: UYYOELZSHBWAAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2931900090

反应信息

• 作为反应物：
  描述：

  dimethyl-N-ethylphosphoramidate 、 三氯乙醛 在 硫酸 作用下， 生成 Ethyl-(2,2,2-trichloro-1-hydroxy-ethyl)-phosphoramidic acid dimethyl ester
  参考文献：
  名称：

  Condensation of chloral with phosphoramidic esters, and some properties of the compounds obtained

  摘要：

  DOI：

  10.1007/bf00911613
• 作为产物：
  描述：

  乙胺 、 氯磷酸二甲酯 以 乙醚 为溶剂， 以78%的产率得到dimethyl-N-ethylphosphoramidate
  参考文献：
  名称：

  Phosphoric amides. 7—Mass spectrometry of phosphoric amido esters: Fragmentation patterns and migratory aptitudes

  摘要：

  AbstractMass spectra of 38 organophosphorus compounds, containing both phosphate ester (P(O)OR) and phosphoramidate (P(O)NR′R″) functional groups, were recorded and discussed. Attention was focused on PN bond cleavage, which can involve simple fission, fission accompanied by hydrogen migration from the ester group and fission accompanied by the migration of the ester R group to the departing nitrogen atom. Fragmentations characteristic for the N(β‐chloroethyl) derivatives (phosphorylated nitrogen mustards) are also presented.

  DOI：

  10.1002/oms.1210190304

文献信息

• Phosphoric amides. 7—Mass spectrometry of phosphoric amido esters: Fragmentation patterns and migratory aptitudes
  作者：Bette Davidowitz、Tomasz A. Modro

  DOI：10.1002/oms.1210190304

  日期：1984.3

  AbstractMass spectra of 38 organophosphorus compounds, containing both phosphate ester (P(O)OR) and phosphoramidate (P(O)NR′R″) functional groups, were recorded and discussed. Attention was focused on PN bond cleavage, which can involve simple fission, fission accompanied by hydrogen migration from the ester group and fission accompanied by the migration of the ester R group to the departing nitrogen atom. Fragmentations characteristic for the N(β‐chloroethyl) derivatives (phosphorylated nitrogen mustards) are also presented.
• KHAZANCHI R.; ROY N. K., INDIAN J. AGR. SCI., 56,(1986) N 10, 726-731
  作者：KHAZANCHI R.、 ROY N. K.

  DOI：——

  日期：——
• Condensation of chloral with phosphoramidic esters, and some properties of the compounds obtained
  作者：K. V. Nikonorov、�. A. Gurylev、A. V. Chernova

  DOI：10.1007/bf00911613

  日期：1968.3
• Symes, Jill; Modro, Tomasz A., Canadian Journal of Chemistry, 1986, vol. 64, p. 1702 - 1708
  作者：Symes, Jill、Modro, Tomasz A.

  DOI：——

  日期：——