N,N'-Dimethyl-N-(2-methyl-3-oxo-5-phenyl-3,4-dihydro-2H-3λ⁵-[1,2,4,3]triazaphosphol-3-yl)-ethane-1,2-diamine | 133490-54-7

• 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: N,N'-Dimethyl-N-(2-methyl-3-oxo-5-phenyl-3,4-dihydro-2H-3λ⁵-[1,2,4,3]triazaphosphol-3-yl)-ethane-1,2-diamine
• 英文别名: N,N'-dimethyl-N'-(2-methyl-3-oxo-5-phenyl-1H-1,2,4,3lambda5-triazaphosphol-3-yl)ethane-1,2-diamine；N,N'-dimethyl-N'-(2-methyl-3-oxo-5-phenyl-1H-1,2,4,3λ5-triazaphosphol-3-yl)ethane-1,2-diamine
• CAS: 133490-54-7
• 化学式: C₁₂H₂₀N₅OP
• 分子量: 281.297
• InChiKey: TXCHMNPJBSOHDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  60
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-Phenyl-1,6,9-trimethyl-1,3,4,6,9-pentaza-5-phospha(spiro 4,4)-2,4-nonadiene 在 水 作用下， 生成 N,N'-Dimethyl-N-(2-methyl-3-oxo-5-phenyl-3,4-dihydro-2H-3λ⁵-[1,2,4,3]triazaphosphol-3-yl)-ethane-1,2-diamine
  参考文献：
  名称：

  Spirophosphazenes and the parent triazaphosphole : differences and similarity in chemical reactivity

  摘要：

  The first step of hydrolysis of compounds 1,2 and 4 involves the protonation of the P = N nitrogen atom. 3 does not react with water in the absence of a catalyst. Protonation of compounds 1-3 by a strong acid such as CF3SO3H is studied by N-15 and P-31 nmr spectroscopy. In all cases the P = N nitrogen appears to be the strongest basic site.

  DOI：

  10.1016/s0040-4039(00)79479-2

文献信息

• Spirophosphazenes and the parent triazaphosphole : differences and similarity in chemical reactivity
  作者：O.S. Diallo、L. Lopez、J. Barrans

  DOI：10.1016/s0040-4039(00)79479-2

  日期：1991.1

  The first step of hydrolysis of compounds 1,2 and 4 involves the protonation of the P = N nitrogen atom. 3 does not react with water in the absence of a catalyst. Protonation of compounds 1-3 by a strong acid such as CF3SO3H is studied by N-15 and P-31 nmr spectroscopy. In all cases the P = N nitrogen appears to be the strongest basic site.