isonicotinic acid (1-methyl-3-oxobutadiene) hydrazide | 15017-12-6

• 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: isonicotinic acid (1-methyl-3-oxobutadiene) hydrazide
• 英文别名: N'-(4-hydroxypent-3-en-2-ylidene)isonicotinohydrazide；acetylacetone isonicotinoylhydrazone；N-(4-oxopentan-2-ylideneamino)pyridine-4-carboxamide
• CAS: 15017-12-6
• 化学式: C₁₁H₁₃N₃O₂
• mdl: MFCD00826424
• 分子量: 219.243
• InChiKey: ZCQNZSDBAMZCED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  isonicotinic acid (1-methyl-3-oxobutadiene) hydrazide 、 二丁基二氯化锡 在 三乙胺 作用下， 以 甲醇 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Synthesis and spectroscopic characterization of diorganotin(iv) complexes of N′-(4-hydroxypent-3-en-2-ylidene)isonicotinohydrazide: chemotherapeutic potential validation by in vitro interaction studies with DNA/HSA, DFT, molecular docking and cytotoxic activity

  摘要：

  一种二有机锡（IV）腙配合物，作为潜在的癌症化疗药物，通过载体蛋白HSA靶向DNA。

  DOI：

  10.1039/c5ra06953j
• 作为产物：
  描述：

  异烟肼 、 乙酰丙酮 以 甲醇 为溶剂， 反应 2.0h， 生成 isonicotinic acid (1-methyl-3-oxobutadiene) hydrazide
  参考文献：
  名称：

  Synthesis and spectroscopic characterization of diorganotin(iv) complexes of N′-(4-hydroxypent-3-en-2-ylidene)isonicotinohydrazide: chemotherapeutic potential validation by in vitro interaction studies with DNA/HSA, DFT, molecular docking and cytotoxic activity

  摘要：

  一种二有机锡（IV）腙配合物，作为潜在的癌症化疗药物，通过载体蛋白HSA靶向DNA。

  DOI：

  10.1039/c5ra06953j

文献信息

• Synthesis and characterisation of pentacoordinated ruthenium(II) hydrazone derivatives
  作者：S.A. Pardhy、K. Joseph、Sarada Gopinathan、C. Gopinathan

  DOI：10.1016/s0277-5387(00)84504-0

  日期：1985.1

  derived from isonicotinoyl hydrazone and β-diketones or salicylaldehyde, or azines and mixed azines obtained from salicylaldehyde, benzoylacetone or 2-hydroxyacetophenone. These new compounds are highly coloured crystalline solids, stable and monomeric in toluene. They readily absorb carbon monoxide gas to give a carbonyl derivative of the type Ru(PPh3)2CO(L) in quantitative yields.

  几种新的五配位的钌（II）化合物的Ru（PPH，3）2 L，席夫碱的LH 2中报告。所用的席夫碱衍生自异烟酰yl和β-二酮或水杨醛，或衍生自水杨醛，苯甲酰基丙酮或2-羟基苯乙酮的嗪和混合的嗪。这些新化合物是高度着色的结晶固体，在甲苯中稳定且呈单体状。它们容易吸收一氧化碳气体，以定量收率得到Ru（PPh 3）2 CO（L）类型的羰基衍生物。
• Synthesis and Crystal Structures of Dioxomolybdenum(VI) Complexes With Catalytic Property
  作者：Nan-Yan Jin、Wen-Hui Li

  DOI：10.1080/15533174.2012.684230

  日期：2012.9.1

  dioxomolybdenum(VI) complexes, [MoO2L1(CH3 OH)] (1) and [MoO2L2(CH3OH)] (2), where L1 and L2 are the dianionic form of isonicotinic acid (1-methyl-3-oxobutylidene) hydrazide and nicotinic acid (1-methyl-3-oxobutylidene)hydra- zide, respectively, were prepared and structurally characterized by physicochemical and spectroscopic methods and single crystal X-ray determination. The complexes are mononuclear

  两个新的二氧钼钼（VI）配合物，[MoO 2 L 1（CH 3 OH）]（1）和[MoO 2 L 2（CH 3 OH）]（2），其中L 1和L 2是异烟酸的二价阴离子形式分别制备了酸（1-甲基-3-氧代丁烯）酰肼和烟酸（1-甲基-3-氧代丁烯）酰肼，并通过物理化学和光谱法以及单晶X射线测定对其结构进行了表征。该络合物是单核钼化合物。每个络合物中的Mo原子处于八面体配位状态。配合物的催化性能表明它们是硫氧化的有效催化剂。
• Studies on the synthesis and magnetism of binuclear oxovanadium(II) complexes of some isonicotinoyl hydrazones
  作者：Jing-Tang Chen、Dai-Zheng Liao、Ruo-Hua Zhang、Zhen-Lin Xiong、Guang-Ming Yang

  DOI：10.1016/s0277-5387(00)80100-x

  日期：1994.6

  Three novel binuclear oxovanadium(II) complexes have been synthesized, namely [(VO)2(H2pfhmp)(mu-CNO)]SO43H2O (1), [(VO)(AcAcNH)]2H2O (2) and [(VO)(SIH)]2H2O (3), where (H2PfhMP)1-, (AcAcNH)2- and (SIH)2- denote deprotonated anions of N,N'-diisonicotinoyl-2-hydroxy-5-methylisophthalaldehyde dihydrazone, acetylacetone-isonicotinoyl hydrazone and salicylaldehyde-isonicotinoyl hydrazone respectively. CNO is the exogenous bridging group of complex (1), these complexes were characterized by IR, elemental analysis and conductivity measurements. The determination of variable-temperature magnetic susceptibilities shows that there is antiferro-magnetic spin-exchange interaction between two oxovanadium(II) ions within each molecule.
• Joseph, K; Pardhy, S A; Gopinathan, Sarada, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1982, vol. 21, # 12, p. 1137 - 1139
  作者：Joseph, K、Pardhy, S A、Gopinathan, Sarada、Gopinathan, C

  DOI：——

  日期：——
• Synthesis and Structures of Dioxomolybdenum(VI) Complexes with Hydrazones of β-Dicarbonic Compounds. Crystal Structures of Solvate Complexes МоО2L1⋅МеОН (H2L1 = Isonicotinoylhydrazone Acetylacetone) and МоО2L2 ⋅Me2SO (H2L2 = Benzoylhydrazone Benzoylacetone)
  作者：V. S. Sergienko、V. L. Abramenko、A. V. Churakov、M. D. Surazhskaya

  DOI：10.1134/s0036023621120159

  日期：2021.12