diphenyl N-(β-chloroethyl)phosphinamidate | 90691-32-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: diphenyl N-(β-chloroethyl)phosphinamidate
• 英文别名: N-(β-chloroethyl)diphenylphosphinamidate；N-(2-Chloroethyl)-P,P-diphenylphosphinic amide；2-chloro-N-diphenylphosphorylethanamine
• CAS: 90691-32-0
• 化学式: C₁₄H₁₅ClNOP
• 分子量: 279.706
• InChiKey: WMMDFPXZULRYPU-UHFFFAOYSA-N

物化性质

• 沸点：
  404.2±47.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  diphenyl N-(β-chloroethyl)phosphinamidate 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以87%的产率得到N-(diphenylphosphinoyl)ethylenimine
  参考文献：
  名称：

  Davidowitz, Bette; Modro, Tomasz A., Journal of the Chemical Society. Perkin transactions II, 1985, p. 303 - 306

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯乙胺盐酸盐 、 二苯基次膦酰氯 以 乙醚 为溶剂， 以31%的产率得到diphenyl N-(β-chloroethyl)phosphinamidate
  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

• Davidowitz, B.; Modro, T. A.; Niven, M. L., Phosphorus and Sulfur and the Related Elements, 1985, vol. 22, p. 255 - 264
  作者：Davidowitz, B.、Modro, T. A.、Niven, M. L.

  DOI：——

  日期：——
• 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.
• Davidowitz, Bette; Modro, Tomasz A., Journal of the Chemical Society. Perkin transactions II, 1985, p. 303 - 306
  作者：Davidowitz, Bette、Modro, Tomasz A.

  DOI：——

  日期：——