5-甲基-4-(4-硝基苯甲酰基)-2-苯基-4H-吡唑-3-酮 | 66755-21-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5-甲基-4-(4-硝基苯甲酰基)-2-苯基-4H-吡唑-3-酮
• 英文名称: 1-phenyl-3-methyl-4-(4-nitrobenzoyl)pyrazol-5-one
• 英文别名: 3-methyl-4-(p-nitrobenzoyl)-5-oxo-1-phenylpyrazole；1-phenyl-3-methyl-4-p-nitrobenzoyl-5-pyrazolone；2,4-dihydro-2-phenyl-5-methyl-4-(p-nitrobenzoyl)-3H-pyrazol-3-one；5-methyl-4-(4-nitrobenzoyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one；5-methyl-4-(4-nitrobenzoyl)-2-phenyl-4H-pyrazol-3-one
• CAS: 66755-21-3
• 化学式: C₁₇H₁₃N₃O₄
• 分子量: 323.308
• InChiKey: QHRMOZIIQNCORN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  95.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-甲基-4-(4-硝基苯甲酰基)-2-苯基-4H-吡唑-3-酮 、 tin(ll) chloride 在 KOH 作用下， 以 甲醇 为溶剂， 以82%的产率得到bis(1-phenyl-3-methyl-4-p-nitrobenzoyl-pyrazolon-5-ato)tin(II)
  参考文献：
  名称：

  Synthesis and characterization of some tin(II) and tin(IV) derivatives of 4-acyl-5-pyrazolones. Crystal structure of bis(1-phenyl-3-methyl-4-acetyl-pyrazolon-5-ato)tin(II)

  摘要：

  Stable, four-coordinated (Q)2Sn compounds have been prepared, where QH is 1-phenyl-3-methyl-4-RC(=O)-pyrazol-5-one (R = CH3, CF3, n-C6H13, C6H5, p-F-C6H4, p-Cl-C6H4, p-Br-C6H4, p-I-C6H4, p-NO2-C6H4, p-CH3O-C6H4). They have been characterized through analytical data, IR and H-1, C-13 and Sn-119 NMR spectroscopy. In the crystal structure of the title compound (8), the tin atom is found in a distorted psi trigonal bipyramidal environment, with the tin lone pair occupying an equatorial site. The diaxial angle O-Sn-O is bent [149.8(2)2)degrees] and two sets of Sn-O distances are found [Sn-O(1) = 2.141 (5) angstrom; Sn-O(3) = 2.133 (5) angstrom; Sn-O(2) = 2.296 (6) angstrom; Sn-O(4) = 2.313 (6) angstrom. Oxidative addition of iodomethane or dihalogens (Br2 or I2) to (Q)2Sn provides a route to new (Q)2R(n)Sn(IV)X2-n compounds (where X = Br or I; R = CH3 or X).

  DOI：

  10.1016/s0277-5387(00)83014-4
• 作为产物：
  描述：

  4-硝基苯甲酰氯 、 依达拉奉 在 calcium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.5h， 生成 5-甲基-4-(4-硝基苯甲酰基)-2-苯基-4H-吡唑-3-酮
  参考文献：
  名称：

  Arora, H. C.; Rao, G. N., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1981, vol. 20, # 5, p. 539 - 540

  摘要：

  DOI：

文献信息

• Solvent extraction of uranium(VI) with 4-acyl 2,4-dihydro 5-methyl 2-phenyl 3h-pyrazol 3-ones
  作者：G.N. Rao、H.C. Arora

  DOI：10.1016/0022-1902(77)80546-0

  日期：——

  Solvent extraction of uranium(VI) by benzoyl, para nitro benzoyl and 3,5-dinitro benzoyl derivatives of 2,4-dihydro 5-methyl 2-phenyl 3H-pyrazol 3-one (PMBP, PMNP and PMDNP respectively) has been investigated. Extraction constants have been determined in these systems and a comparison with the values obtained in the uranium(IV)-thenoyl trifluoro acetone (TTA) system shows that these ligands extract

  研究了由2,4-二氢5-甲基2-甲基3P-吡唑3-酮的苯甲酰基，对硝基苯甲酰基和3,5-二硝基苯甲酰基衍生物（分别为PMBP，PMNP和PMDNP）溶剂萃取铀（VI） 。已在这些系统中确定了萃取常数，并将其与铀（IV）-壬基三氟丙酮（TTA）系统中获得的值进行比较，结果表明这些配体比TTA萃取的铀（VI）更好。三Ñ丁基磷酸酯和三Ñ辛基氧化膦协同增强铀（Ⅵ）与PMPB提取。铀（VI）与PMBP，PMNP和PMDNP的配合物已被固态分离并进行了研究。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: U: SVol.E2, 1.2, page 1 - 27
  作者：

  DOI：——

  日期：——
• Thaker, B. T.; Patel, B. V.; Thaker, Purnima, Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1991, vol. 21, p. 941 - 964
  作者：Thaker, B. T.、Patel, B. V.、Thaker, Purnima

  DOI：——

  日期：——
• Synthesis, Magnetic and Spectral Studies of Some Mixed-Ligand Chelates of Bis(2-Hydroxyacetphenonauam)Copper(II) with 2- or 3-Pyrazoline-5-One Derivatives
  作者：R. C. Maurya、R. Verma、P. K. Trivedi、H. Singh

  DOI：10.1080/00945719809351906

  日期：1998.2
• Arora, H. C.; Rao, G. N., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1982, vol. 21, # 3, p. 335 - 336
  作者：Arora, H. C.、Rao, G. N.

  DOI：——

  日期：——