3-Phenyl-1,6,9-trimethyl-1,3,4,6,9-pentaza-5-phospha(spiro 4,4)-2,4-nonadiene | 79116-97-5

• 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: 3-Phenyl-1,6,9-trimethyl-1,3,4,6,9-pentaza-5-phospha(spiro 4,4)-2,4-nonadiene
• 英文别名: 1,6,9-Trimethyl-3-phenyl-1,2,4,6,9-pentaza-5lambda5-phosphaspiro[4.4]nona-2,4-diene；1,6,9-trimethyl-3-phenyl-1,2,4,6,9-pentaza-5λ5-phosphaspiro[4.4]nona-2,4-diene
• CAS: 79116-97-5
• 化学式: C₁₂H₁₈N₅P
• 分子量: 263.282
• InChiKey: IBVUBWZKMAIXFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  37.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  2-methyl-5-phenyl-2H-1,2,4,3-triazaphosphole 、 N,N'-二甲基乙二胺 在 碘 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成 3-Phenyl-1,6,9-trimethyl-1,3,4,6,9-pentaza-5-phospha(spiro 4,4)-2,4-nonadiene
  参考文献：
  名称：

  Diallo, O. S.; Lopez, L.; Rodi, Y. Kandri, Phosphorus, Sulfur and Silicon and the Related Elements, 1991, vol. 56, # 1-4, p. 17 - 20

  摘要：

  DOI：

文献信息

• SCHMIDPETER A.; TAUTZ H.; SCHREIBER F., Z. ANORG. UND ALLG. CHEM.,1981, 475 NO 4, 211-231,
  作者：SCHMIDPETER A.、 TAUTZ H.、 SCHREIBER F.

  DOI：——

  日期：——
• Diallo, O. S.; Lopez, L.; Rodi, Y. Kandri, Phosphorus, Sulfur and Silicon and the Related Elements, 1991, vol. 56, # 1-4, p. 17 - 20
  作者：Diallo, O. S.、Lopez, L.、Rodi, Y. Kandri、Barrans, J.

  DOI：——

  日期：——
• 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.