p-nitrobenzylidene-4-aminoantipyrine | 61098-06-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: p-nitrobenzylidene-4-aminoantipyrine
• 英文别名: (E)-1,5-dimethyl-4-(4-nitrobenzylideneamino)-2-phenyl-1H-pyrazol-3(2H)-one；(E)-4-[4-nitrobenzylideneamino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one；1,5-dimethyl-4-(4-nitro-benzylideneamino)-2-phenyl-1,2-dihydro-pyrazol-3-one；1,5-dimethyl-4-(4-nitro-benzylidenamino)-2-phenyl-1,2-dihydro-pyrazol-3-one；1,5-Dimethyl-4-(4-nitro-benzylidenamino)-2-phenyl-1,2-dihydro-pyrazol-3-on；4-(4-Nitrobenzylidenamino)antipyrin
• CAS: 61098-06-4
• 化学式: C₁₈H₁₆N₄O₃
• 分子量: 336.35
• InChiKey: WYNUPJAWGKEHGJ-XDHOZWIPSA-N

物化性质

• 熔点：
  252-253 °C
• 沸点：
  488.1±55.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.14
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  82.43
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  p-nitrobenzylidene-4-aminoantipyrine 在 哌啶 、 sodium acetate 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 反应 10.0h， 生成 4-chloro-6-[2,3-dimethyl-5-(4-nitrophenyl)-1-phenyl-4,5-dihydropyrazolo[4,3-e][1,2,4]triazin-6-yl]pyrimidin-2-amine
  参考文献：
  名称：

  Seada, M.; Abdel-Rahman, R. M.; Hanafy, F., Journal of the Indian Chemical Society, 1992, vol. 69, # 12, p. 882 - 884

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氨基安替比林 、 对硝基苯甲醛 以 乙醇 为溶剂， 反应 2.0h， 以68%的产率得到p-nitrobenzylidene-4-aminoantipyrine
  参考文献：
  名称：

  Trivedi, G. S.; Desai, N. C., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1992, vol. 31, # 6, p. 366 - 369

  摘要：

  DOI：

文献信息

• Synthesis, characterization, and biological evaluation of Schiff base–platinum(II) complexes
  作者：C. Shiju、D. Arish、N. Bhuvanesh、S. Kumaresan

  DOI：10.1016/j.saa.2015.02.030

  日期：2015.6

  The platinum complexes of Schiff base ligands derived from 4-aminoantipyrine and a few substituted aldehydes were synthesized and characterized by elemental analysis, mass, H-1 NMR, IR, electronic spectra, molar conductance, and powder XRD. The structure of one of the ligands L-5 was confirmed by a single crystal XRD, analysis. The Schiff base ligand crystallized in the triclinic, space group P-1 with a = 7.032(2) angstrom, b = 9.479(3) angstrom, c = 12.425(4) angstrom, alpha = 101.636(3)degrees, beta = 99.633(3)degrees, gamma = 94.040(3)degrees, V= 795.0(4) angstrom(3), Z= 2, F(000) = 352, D-c= 1.405 mg/m(3), mu = 0.099 mm(-1), R= 0.0378, and wR = 0.0967. The spectral results show that the Schiff base ligand acts as a bidentate donor coordinating through the azomethine nitrogen and the carbonyl oxygen atoms. The geometrical structures of these complexes are found to be square planar. Antimicrobial studies indicate that these complexes exhibit better activity than the ligand. The anticancer activities of the complexes have also been studied towards human cervical cancer cell line (HeLa), Colon Cancer Cells (HCT116) and Epidermoid Carcinoma Cells (A431) and it was found that the [Pt(L-3)Cl-2] complex is more active. (C) 2015 Elsevier B.V. All rights reserved.
• Khan, Khalid Mohammed; Khan, Akbar; Taha, Muhammad, Journal of the Chemical Society of Pakistan, 2015, vol. 37, # 4, p. 802 - 810
  作者：Khan, Khalid Mohammed、Khan, Akbar、Taha, Muhammad、Salar, Uzma、Hameed, Abdul、Ismail, Nor Hadiani、Jamil, Waqas、Saad, Syed Muhammad、Perveen, Shahnaz、Kashif, Syed Muhammad

  DOI：——

  日期：——
• Synthèse et triage pharmacologique d'une nouvelle série d'(antipyryl-4)-3 aryl-2 thiazolodinones-4
  作者：H Al-Khamees

  DOI：10.1016/0223-5234(90)90016-v

  日期：1990.3
• Letunov, V. I., Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 145 - 149
  作者：Letunov, V. I.

  DOI：——

  日期：——
• LETUNOV, V. I., ZH. ORGAN. XIMII, 1984, 20, N 1, 162-166
  作者：LETUNOV, V. I.

  DOI：——

  日期：——