N-二甲氧基磷酰丙-2-胺 | 74124-43-9

• 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
• 中文名称: N-二甲氧基磷酰丙-2-胺
• 中文别名: 2-[3-(5-氯-2-苯甲基)-1-乙基三氮烯基-2-基]-5-磺酸根苯酸二钾
• 英文名称: N-(1-methylethyl)-O,O-dimethylphosphoramidate
• 英文别名: dimethyl N-isopropylphosphoramidate；dimethyl-N-i-propylphosphoramidate；Phosphorsaeuredimethylester-isopropylamid；Phosphoramidic acid, (1-methylethyl)-, dimethyl ester；N-dimethoxyphosphorylpropan-2-amine
• CAS: 74124-43-9
• 化学式: C₅H₁₄NO₃P
• 分子量: 167.145
• InChiKey: GVUUSKMMJGVWGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  10
• 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

反应信息

• 作为反应物：
  描述：

  N-二甲氧基磷酰丙-2-胺 、 三甲胺 以 乙腈 为溶剂， 生成 tetramethylammonium methyl isopropylphosphoramidate
  参考文献：
  名称：

  Symes, Jill; Modro, Tomasz A., Canadian Journal of Chemistry, 1986, vol. 64, p. 1702 - 1708

  摘要：

  DOI：
• 作为产物：
  描述：

  异丙胺 、 氯磷酸二甲酯 以 乙醚 为溶剂， 以56%的产率得到N-二甲氧基磷酰丙-2-胺
  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

• Brownbridge, P.; Jowett, I. C., Phosphorus and Sulfur and the Related Elements, 1988, vol. 35, p. 311 - 318
  作者：Brownbridge, P.、Jowett, I. C.

  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.
• Electrosynthesis of heteroatom bonds. 5. Direct cross-coupling of dialkylphosphites with amines by an iodonium ion-promoted electrolytic procedure
  作者：Sigure Torii、Noboru Sayo、Hideo Tanaka

  DOI：10.1016/s0040-4039(01)86622-3

  日期：1979.1
• HARGER, MARTIN J. P.;WILLIAMS, ANDREW, J. CHEM. SOC. PERKIN TRANS. PT 1,(1989) N, C. 563-469
  作者：HARGER, MARTIN J. P.、WILLIAMS, ANDREW

  DOI：——

  日期：——
• 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：——