1-phenyl-3-(4-nitrophenyl) triazene 1-oxide | 25965-34-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-phenyl-3-(4-nitrophenyl) triazene 1-oxide
• 英文别名: 1-phenyl-3-(4-nitrophenyl)triazene-1-oxide；3-(4-nitrophenyl)-1-phenyltriazene N-oxide；3-p-nitrophenyl-1-phenyl-triazene-1-oxide；[(4-nitrophenyl)hydrazinylidene]-oxido-phenylazanium
• CAS: 25965-34-8
• 化学式: C₁₂H₁₀N₄O₃
• 分子量: 258.236
• InChiKey: VHMNZLRUFSYKDI-UHFFFAOYSA-N

物化性质

• 沸点：
  437.8±47.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  99
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  phenyl mercury(II) acetate 、 1-phenyl-3-(4-nitrophenyl) triazene 1-oxide 以 乙醇 为溶剂， 生成 phenylmercury(3-p-nitrophenyl-1-phenyl-triazene-1-oxide)
  参考文献：
  名称：

  Dutta, R. L.; Satapathi, S. K., Journal of the Indian Chemical Society, 1982, vol. 59, # 3, p. 332 - 333

  摘要：

  DOI：
• 作为产物：
  描述：

  苯基羟胺 、 4-硝基苯胺 在 盐酸 、 sodium nitrite 、 sodium acetate 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 0.5h， 以86%的产率得到1-phenyl-3-(4-nitrophenyl) triazene 1-oxide
  参考文献：
  名称：

  The first supramolecular-assembling structure of [PbII {O2N(C6H4)NNN(O)Ph}2] through metal–η6arene π-interactions: Synthesis and X-ray characterization of aryl-substituted triazenide lead(II) complex

  摘要：

  Pb(SCN)(2) reacts with metallic sodium (Na-0) 1-phenyl-3-(4-nitrophenyl) triazene 1-oxide in tetrahydrofuran, leading to the formation of orange-colored crystals of the [Pb-II {O2N(C6H4)NNN(O)Ph}(2)] complex, which is the first lead (PbII) complex with reciprocal metal-eta(6)arene pi-interactions. The crystal structure belongs to the monoclinic space group P2(1)/n and the lattice of [Pb-II {O2N(C6H4) NNN(O)Ph}(2)] can be viewed as a unidimensional supramolecular assembling of [Pb-II {O2N(C6H4)NNN(O)Ph}(2)] units linked through intermolecular metal-arene pi-interactions. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.11.038

文献信息

• 1-D Supramolecular Arrangement of [{C6H5NNN(O)C6H5}V(O)2(C5H5N)] and [{O2NC6H4NNN(O)C6H5}V(O)2(C5H5N)] through Hydrogen Bonding – Stabilization ofcis-Dioxovanadium(V)(Pyridyne) Fragments with 1,3-Disubstituted Triazenido 1-Oxide Anions as Ligands
  作者：Manfredo Hörner、Bernardo Almeida Iglesias、Paulo Roberto Martins、Paulo Cesar Mendes Villis、Lorenzo do Canto Visentin

  DOI：10.1002/zaac.200700585

  日期：2008.6

  3-bis(phenyl)triazene 1-oxide with VOSO4·5H2O in the presence of potassium ethanolate in ethanol yields yellow vitreous crystals of [C6H5NNN(O)C6H5}V(O)2(C5H5N)] (1) and [O2NC6H4NNN(O)C6H5}V(O)2(C5H5N)] (2) after recrystallization from acetone/pyridine. 1 and 2 complex molecules are associated to [C6H5NNN(O)C6H5}V(O)2(C5H5N)]2 and [O2NC6H4NNN(O)C6H5}V(O)2(C5H5N)]2 dimeric units through centrosymmetric C–H···O interactions

  1,3-双(苯基)三氮烯1-氧化物与VOSO4·5H2O在乙醇化钾存在下在乙醇中反应，生成[ NNN(O)C6H5}V(O)2(C5H5N)]黄色玻璃状晶体( 1)和[O2NC6H4NNN(O) }V(O)2( )](2)从丙酮/吡啶重结晶后。1 和 2 复合分子通过中心对称 C 与 [ NNN (O) } V (O) 2 ( )] 2 和 [O2NC6H4NNN (O) } V (O) 2 ( )] 2 个二聚单元相关联–H...O 相互作用。中心对称二聚体 - 通过平移相互关联 - 在 1 的情况下沿着结晶方向 [010] 连接到维度链，在 2 的情况下沿着结晶方向 [100]，生成超分子链分别为一维排列。
• Dutta, R. L.; Sharma, Ramadhar, Journal of the Indian Chemical Society, 1983, vol. 60, p. 325 - 327
  作者：Dutta, R. L.、Sharma, Ramadhar

  DOI：——

  日期：——
• Stabilization of substituted triazene oxides by lanthanides chelation: Synthesis, TGA evaluations and X-ray structural features of [MIII{O2NPhNNN(O)Ph}4](Et3NH)·H2O (M = La3+, Dy3+; Et = C2H5)
  作者：Gelson Manzoni de Oliveira、Manfredo Hörner、Aline Machado、Marcos Antonio Villetti、Davi Fernando Back、Bernardo Almeida Iglesias

  DOI：10.1016/j.molstruc.2009.03.019

  日期：2009.6

  Deprotonated 3-(4-nitrophenyl)-1-phenyltriazene N-oxide reacts with La(NO3)(3)center dot 6H(2)O and DyCl3 center dot 6H(2)O to give [M-III(O2NPhNNN(O)Ph)(4)](Et3NH)center dot H2O (M=La3+ (1), Dy3+ (2); Et=C2H5). In both complexes the metal centers present the coordination number 8, with a square antiprismatic configuration. As already expected for triazene oxides with PhNO2 groups, multiple, effective O center dot center dot center dot H interactions hold the species in two-dimensional layers in the be plane. TGA and IR data of both compounds are also presented and discussed. (C) 2009 Elsevier B.V. All rights reserved.