1-methyl-4-(2-diphenylphosphoryethyl)-1-azonia-4-azacyclohexane | 165273-24-5

• 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: 1-methyl-4-(2-diphenylphosphoryethyl)-1-azonia-4-azacyclohexane
• 英文别名: 1-methyl-4-(2-diphenylphosphorylethyl)piperazine；1-[2-(Diphenylphosphoryl)ethyl]-4-methylpiperazine；1-(2-diphenylphosphorylethyl)-4-methylpiperazine
• CAS: 165273-24-5
• 化学式: C₁₉H₂₅N₂OP
• 分子量: 328.394
• InChiKey: VOPFQJOEZVZZEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-methyl-4-(2-diphenylphosphoryethyl)-1-azonia-4-azacyclohexane 在 高氯酸 作用下， 以 硝基甲烷 为溶剂， 生成 1-methyl-4-(2-diphenylphosphoryethyl)-1-azonia-4-azacyclohexane perchlorate
  参考文献：
  名称：

  Hydrogen bonds and the structure of perchlorates of phosphorylated diazacycloalkanes

  摘要：

  Mono- and diperchlorates of phosphorylated diazacycloalkanes (PDAC), viz. 1,5-bis(2-diphenylphosphorylethyl)-1,5-diazacyclooctanes (1a, 1b), 1,4-bis(2-diphenylphosphorylethyl)1,4-piperazine (2a), and 1-methyl-4-(2-diphenylphosphorylethyl)-1,4-piperazines (3a, 3b), were prepared. The formation of inter- and intramolecular hydrogen bonds in PDAC perchlorates and some model compounds in the solid state and in solution was investigated by IR spectroscopy. The dependence between the effect of the hydrogen bond formation and association of the ions in solution was analyzed. Conformational analysis of the cations of PDAC was carried out.

  DOI：

  10.1007/bf00696325
• 作为产物：
  描述：

  Nd(NO3)3*(1-methyl-4-(2-diphenylphosphorylethyl)piperazine)*4H2O 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-methyl-4-(2-diphenylphosphoryethyl)-1-azonia-4-azacyclohexane
  参考文献：
  名称：

  Matrosov; Matveev; Matveeva, Russian Journal of Inorganic Chemistry, 2004, vol. 49, # 4, p. 523 - 529

  摘要：

  DOI：

文献信息

• Synthesis and acid-base properties of phosphorylated diazacycloalkanes and their cyclic analogs
  作者：S. V. Matveev、A. G. Matveeva、E. I. Matrosov、B. K. Shcherbakov、Yu. M. Polikarpov、M. I. Kabachnik

  DOI：10.1007/bf00696324

  日期：1994.11

  Novel cyclopendant organophosphorus complexing agents, viz. 1,5-bis(2-diphenylphosphorylmethyl(or ethyl))-1,5-diazacyclooctane (1, 2) and 1-methyl-4-(2-diphenylphosphorylethyl)piperazine (3), were synthesized on the basis of 1,5-diazacyclooctane and piperazine. The protonation constants of the compounds synthesized and some of their analogs were determined by potentiometric titration in 70 % aqueous ethanol and in nitromethane. The nitrogen atoms of the ring are the protonation sites in all of the systems studied. The regularities of the variation of protonation constants have been explained by the formation of intramolecular hydrogen bonds. The conformational possibilities of the formation of H-bonds in the cations of the ligands have been examined by molecular mechanics.
• Matrosov; Matveev; Matveeva, Russian Journal of Inorganic Chemistry, 2004, vol. 49, # 4, p. 523 - 529
  作者：Matrosov、Matveev、Matveeva、Nifant'ev

  DOI：——

  日期：——
• Hydrogen bonds and the structure of perchlorates of phosphorylated diazacycloalkanes
  作者：E. I. Matrosov、A. G. Matveeva、S. V. Matveev、Yu. M. Potikarpov、B. K. Shcherbakov、M. I. Kabachnik

  DOI：10.1007/bf00696325

  日期：1994.11

  Mono- and diperchlorates of phosphorylated diazacycloalkanes (PDAC), viz. 1,5-bis(2-diphenylphosphorylethyl)-1,5-diazacyclooctanes (1a, 1b), 1,4-bis(2-diphenylphosphorylethyl)1,4-piperazine (2a), and 1-methyl-4-(2-diphenylphosphorylethyl)-1,4-piperazines (3a, 3b), were prepared. The formation of inter- and intramolecular hydrogen bonds in PDAC perchlorates and some model compounds in the solid state and in solution was investigated by IR spectroscopy. The dependence between the effect of the hydrogen bond formation and association of the ions in solution was analyzed. Conformational analysis of the cations of PDAC was carried out.