2,2-(1'-methyl-1',3'-diaminopropane)-4,4-dichloro-6,6-diphenylcyclotriphosphazatriene | 119703-61-6

• 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: 2,2-(1'-methyl-1',3'-diaminopropane)-4,4-dichloro-6,6-diphenylcyclotriphosphazatriene
• 英文别名: 2,2-(N-methyl-1',3'-diaminopropane)-4,4-dichloro-6,6-diphenylcyclotriphosphazatriene
• CAS: 119703-61-6
• 化学式: C₁₆H₂₀Cl₂N₅P₃
• 分子量: 446.196
• InChiKey: ZLTWPOUMOUOEFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.06
• 重原子数：
  26.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  52.35
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2,2-(1'-methyl-1',3'-diaminopropane)-4,4-dichloro-6,6-diphenylcyclotriphosphazatriene 、 3-氨基-1-丙醇 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 96.0h， 以19.16%的产率得到
  参考文献：
  名称：

  The investigation of stereogenic properties of cyclotriphosphazene derivatives with two different chiral centres

  摘要：

  Hexachlorocyclotriphosphazene N3P3Cl6 and gem-disubstituted cyclotriphosphazene derivatives N3P3Cl4X2 (X = Ph, PhS, PhNH) were reacted with N-methyl-1,3-propanediamine and 3-amino-1-propanol to give compounds (9a-12a, 9b-12b) which exist as cis and trans geometric isomers and are two different racemic isomers, respectively to describe the stereogenic properties of a series of chiral cyclotriphosphazene compounds with two different centres of chirality. The geometric isomers were separated by column chromatography on silica gel and analysed by elemental analysis, mass spectrometry, and P-31 and H-1 NMR spectroscopies, and also the geometric forms (cis or trans) of 9b, 10a, 11a, 11b and 12a have been determined by the X-ray crystallography. The enantiomers of all racemic compounds have been analysed by the changes in P-31 NMR spectra on addition of a Chiral Solvating Agent (CSA), (R)-(+)-2,2,2-trifluoro-1-(9'-anthryl)ethanol. On the other hand, the racemic forms of chiral cyclotriphosphazene derivatives have been confirmed by contribution of chiral HPLC methods which have been developed for this study. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.03.028
• 作为产物：
  描述：

  2,2,4,4-四氯-6,6-二苯基环三磷腈 、 3-甲氨基丙胺 以 四氢呋喃 为溶剂， 反应 24.0h， 以96.6%的产率得到2,2-(1'-methyl-1',3'-diaminopropane)-4,4-dichloro-6,6-diphenylcyclotriphosphazatriene
  参考文献：
  名称：

  The investigation of stereogenic properties of cyclotriphosphazene derivatives with two different chiral centres

  摘要：

  Hexachlorocyclotriphosphazene N3P3Cl6 and gem-disubstituted cyclotriphosphazene derivatives N3P3Cl4X2 (X = Ph, PhS, PhNH) were reacted with N-methyl-1,3-propanediamine and 3-amino-1-propanol to give compounds (9a-12a, 9b-12b) which exist as cis and trans geometric isomers and are two different racemic isomers, respectively to describe the stereogenic properties of a series of chiral cyclotriphosphazene compounds with two different centres of chirality. The geometric isomers were separated by column chromatography on silica gel and analysed by elemental analysis, mass spectrometry, and P-31 and H-1 NMR spectroscopies, and also the geometric forms (cis or trans) of 9b, 10a, 11a, 11b and 12a have been determined by the X-ray crystallography. The enantiomers of all racemic compounds have been analysed by the changes in P-31 NMR spectra on addition of a Chiral Solvating Agent (CSA), (R)-(+)-2,2,2-trifluoro-1-(9'-anthryl)ethanol. On the other hand, the racemic forms of chiral cyclotriphosphazene derivatives have been confirmed by contribution of chiral HPLC methods which have been developed for this study. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.03.028

文献信息

• Deutsch, W.Francis; Shaw, Robert A., Journal of the Chemical Society, Dalton Transactions, 1988, p. 1757 - 1764
  作者：Deutsch, W.Francis、Shaw, Robert A.

  DOI：——

  日期：——