3-(triphenylphosphoranylidene)naphthalene-1,2,4(3H)-trione | 70333-96-9

• 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-(triphenylphosphoranylidene)naphthalene-1,2,4(3H)-trione
• 英文别名: 3-(triphenyl-λ5-phosphanylidene)naphthalene-1,2,4-trione
• CAS: 70333-96-9
• 化学式: C₂₈H₁₉O₃P
• 分子量: 434.431
• InChiKey: NZBICKKHSMOGDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(triphenylphosphoranylidene)naphthalene-1,2,4(3H)-trione 在 肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以67%的产率得到(4Z)-4-hydrazinylidene-2-(triphenyl-λ5-phosphanylidene)naphthalene-1,3-dione
  参考文献：
  名称：

  The structure and properties of 3-(triphenylphosphoranylidene)naphthalene-1,2,4(3H)-trione

  摘要：

  The structure of 3-(triphenylphosphoranylidene)naphthalene-1,2,4(3H)-trione was established with the use of IR and C-13 NMR spectroscopy and quantum-chemical calculations. Reactions of this compound with NH2OH and RNHNH2 involve the carbonyl group in position 1 and a reaction with o-phenylenediamine involves the carbonyl groups in positions 1 and 2.

  DOI：

  10.1007/bf02494568
• 作为产物：
  描述：

  2,3-二氯-1,4-萘醌 、 三苯基膦 在 水 作用下， 以 氯仿 为溶剂， 反应 48.0h， 以68%的产率得到3-(triphenylphosphoranylidene)naphthalene-1,2,4(3H)-trione
  参考文献：
  名称：

  The structure and properties of 3-(triphenylphosphoranylidene)naphthalene-1,2,4(3H)-trione

  摘要：

  The structure of 3-(triphenylphosphoranylidene)naphthalene-1,2,4(3H)-trione was established with the use of IR and C-13 NMR spectroscopy and quantum-chemical calculations. Reactions of this compound with NH2OH and RNHNH2 involve the carbonyl group in position 1 and a reaction with o-phenylenediamine involves the carbonyl groups in positions 1 and 2.

  DOI：

  10.1007/bf02494568

文献信息

• The structure and properties of 3-(triphenylphosphoranylidene)naphthalene-1,2,4(3H)-trione
  作者：V. A. Loskutov、V. I. Mamatyuk、I. V. Beregovaya

  DOI：10.1007/bf02494568

  日期：1999.2

  The structure of 3-(triphenylphosphoranylidene)naphthalene-1,2,4(3H)-trione was established with the use of IR and C-13 NMR spectroscopy and quantum-chemical calculations. Reactions of this compound with NH2OH and RNHNH2 involve the carbonyl group in position 1 and a reaction with o-phenylenediamine involves the carbonyl groups in positions 1 and 2.