N-(4-benzoylidene-3-methyl-1-phenylpyrazol-5-one)isonicotinylhydrazine | 329247-15-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(4-benzoylidene-3-methyl-1-phenylpyrazol-5-one)isonicotinylhydrazine
• CAS: 329247-15-6
• 化学式: C₂₃H₁₉N₅O₂
• 分子量: 397.436
• InChiKey: BFKYUYMDEMPMFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.25
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  87.02
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  yttrium(III) nitrate 、 N-(4-benzoylidene-3-methyl-1-phenylpyrazol-5-one)isonicotinylhydrazine 以 乙醇 为溶剂， 以92%的产率得到Y(N-(4'-benzoylidene-3'-methyl-1'-phenylpyrazol-5'-one)isonicotinylhydrazine)2(NO3)3
  参考文献：
  名称：

  Indrasenan, P.; Sarojini, K. R., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1991, vol. 30, # 4, p. 382 - 384

  摘要：

  DOI：
• 作为产物：
  描述：

  异烟肼 、 4-苯甲酰基-3-甲基-1-苯基-2-吡唑-5-酮 以 甲醇 为溶剂， 反应 6.0h， 以85%的产率得到N-(4-benzoylidene-3-methyl-1-phenylpyrazol-5-one)isonicotinylhydrazine
  参考文献：
  名称：

  Catalytic oxidation of secondary alcohols by molybdenum complexes derived from 4-acyl pyrazolone in presence and absence of an N-based additive: Conventional versus microwave assisted method

  摘要：

  Four dioxidomolybdenum(VI) complexes, [(MoO2)-O-VI(bp-bhz)(MeOH)] (1), [(MoO2)-O-VI(bp-inh)(MeOH)] (2), [(MoO2)-O-VI(bp-nah)(MeOH)] (3) and [(MoO2)-O-VI(bp-fah)(MeOH)] (4) have been isolated with ONO tridentate Schiff base ligands, H(2)bp-bhz (I), H(2)bp-inh (II), H(2)bp-nah (III) and H(2)bp-fah (IV) [where ligands I-IV are derived from 4-benzoyl-3-methyl-1-phenyl-2-pyrazoline-5-one (Hbp) and isonicotinoyl hydrazide (Hinh), benzoyl hydrazide (Hbhz), nicotinoyl hydrazide (Hnah) or furoyl hydrazide (Hfah), respectively] and characterized. Structures of complexes [(MoO2)-O-VI(bp-bhz)(MeOH)] (1) and [(MoO2)-O-VI(bp-nah)(DMSO)]center dot 0.5H(2)O (3a) have been confirmed by single crystal X-ray study. Using conventional and microwave-assisted methods, these complexes have been tested as catalysts for the oxidation of secondary alcohols (1-phenylethanol, 2-propanol and 2-butanol) in the presence of 30% H2O2 as an oxidant. Various parameters such as amounts of catalyst, oxidant, solvent and temperature of the reaction mixture have been taken into consideration for the maximum conversion of substrates. Under the atmospheric optimized reaction conditions, secondary alcohols give high yield of the corresponding ketones selectively. Addition of an N-based additive reduces the reaction time considerably. Microwave irradiation effect on the reaction time and yield has been taken into consideration to conclude that microwave method is more efficient compared to conventional liquid phase method. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.09.013

文献信息

• Neutral dioxovanadium(V) complexes of biomimetic hydrazones ONO donor ligands of bioinorganic and medicinal relevance: Synthesis via air oxidation of bis(acetylaceto-nato)oxovanadium(IV), characterization, biological activity and 3D molecular modeling
  作者：R.C. Maurya、S. Rajput

  DOI：10.1016/j.molstruc.2006.09.022

  日期：2007.5

  (amphp-inH, III ), N -(3′-methyl-1′-phenyl-4′-propionylidene-2′-pyrazolin-5′-one)-isonicotinic acid hydrazide (mphpp-inH, IV ) and N -(4′- iso -butyrylidene-3′-methyl-1′-phenyl-2′-pyrazolin-5′-one)-isonicotinic acid hydrazide ( iso -bumphp-inH, V )] in a mixed solvent (ethanol–methanol, 1:10) via aerial oxidation for 2–3 days yield dioxovanadium(V) complexes of composition [VO 2 (L)(H 2 O)] · H 2 O. The

  10) 通过空气氧化 2-3 天产生组成为 [VO 2 (L)(H 2 O)] · H 2 O 的二氧钒 (V) 配合物。如此获得的化合物基于元素分析、热重分析、钒测定、红外、电子、51 V NMR、1 H NMR 和质谱研究。还针对代表性化合物之一 [VO 2 (ampph-in)(H 2 O)] ( 3 ) 进行了键长和键角的 3D 分子建模和分析。