Methyl-2,3-dioxo-butyrat-α-phenylhydrazon

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl-2,3-dioxo-butyrat-α-phenylhydrazon
• 英文别名: methyl 2-phenylhydrazono-3-oxobutyrate；phenylazo methyl acetoacetate；methyl 3-oxo-2-(phenylhydrazinylidene)butanoate
• 化学式: C₁₁H₁₂N₂O₃
• mdl: MFCD19705755
• 分子量: 220.228
• InChiKey: SXUZCQFCNQPYKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.85
• 重原子数：
  16.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  67.76
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  Methyl-2,3-dioxo-butyrat-α-phenylhydrazon 在 3 A molecular sieve 、 氨 、 三乙胺 、 zinc(II) chloride 作用下， 以 乙醚 、 苯 为溶剂， 反应 347.0h， 生成 3-<(Z)-2-(Benzoylthio)vinylimino>-2-(phenylhydrazono)buttersaeure-methylester
  参考文献：
  名称：

  Gasteiger, Johann; Strauss, Ulrich, Chemische Berichte, 1981, vol. 114, # 6, p. 2336 - 2347

  摘要：

  DOI：
• 作为产物：
  描述：

  乙酰乙酸甲酯 、 苯胺 在 盐酸 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 生成 Methyl-2,3-dioxo-butyrat-α-phenylhydrazon
  参考文献：
  名称：

  Versatile ligational behavior of azopyrazolone derived from hydralazine

  摘要：

  Five complexes of 3-methyl-4 -(phenylhydrazono)-1-phthalazinyl-2-pyrazolin-5-one (LH) were synthesized. The ligand and complexes were characterized using elemental analyses and various analytical techniques such as IR, UV, NMR, mass spectra, magnetic susceptibility measurements, and thermal decomposition studies such as TG/DTG. The geometries of the complexes with special emphasis on the versatile ligational behavior of LH are discussed. All five complexes have octahedral geometry. In four of the complexes [M(LH)Cl-3] where M = Fe(III)/Cr(III) and [M(LH)(OAc)(2)H2O] and M = Cu(II)/Ni(II), the ligand was neutral and tridentate. Another copper complex [CuL(OAc)(H2O)(2)] in which the ligand is tridentate, mono-anionic one was also obtained in an excess of aqueous solution. Antifungal studies of the compounds are also carried out.

  DOI：

  10.1080/00958972.2012.675431

文献信息

• Elguero,J. et al., Bulletin de la Societe Chimique de France, 1966, p. 2981 - 2989
  作者：Elguero,J. et al.

  DOI：——

  日期：——
• Reaction of Triethyl Phosphonoacetate Anion with Phenylhydrazones: A New Method for the Preparation of 3(2<i>H</i>)-Pyridazinones
  作者：Himatkumar V. Patel、Kavita A. Vyas、Sudhanshu P. Pandey、Francis Tavares、P. S. Fernandes

  DOI：10.1080/00397919108019791

  日期：1991.4

  Various 5,6-disubstituted-2-phenyl-3(2H)-pyridazinones 4 have been synthesised by reacting triethyl phosphonoacetate anion with monophenylhydrazone of 1,2-dicarbonyl compounds 2.
• A New and Convenient Synthesis of 3(2<i>H</i>)-Pyridazinones by Reacting Carbanion of Ethyl Trimethylsilylacetate with Phenylhydrazones
  作者：Himatkumar V. Patel、Kavita A. Vyas、Sudhanshu P. Pandey、Francis Tavares、P. S. Fernandes

  DOI：10.1080/00397919108021785

  日期：1991.9

  A one-pot synthesis of 5,6-disubstituted-2-phenyl-3(2H)-pyridazinones 4 is achieved on treatment of carbanion of ethyl trimethylsilylacetate with phenylhydrazones of 1,2-dicarbonyl compounds 1.
• Gasteiger, Johann; Strauss, Ulrich, Chemische Berichte, 1981, vol. 114, # 6, p. 2336 - 2347
  作者：Gasteiger, Johann、Strauss, Ulrich

  DOI：——

  日期：——
• Versatile ligational behavior of azopyrazolone derived from hydralazine
  作者：Susannah Seth、K.K. Aravindakshan

  DOI：10.1080/00958972.2012.675431

  日期：2012.5.10

  Five complexes of 3-methyl-4 -(phenylhydrazono)-1-phthalazinyl-2-pyrazolin-5-one (LH) were synthesized. The ligand and complexes were characterized using elemental analyses and various analytical techniques such as IR, UV, NMR, mass spectra, magnetic susceptibility measurements, and thermal decomposition studies such as TG/DTG. The geometries of the complexes with special emphasis on the versatile ligational behavior of LH are discussed. All five complexes have octahedral geometry. In four of the complexes [M(LH)Cl-3] where M = Fe(III)/Cr(III) and [M(LH)(OAc)(2)H2O] and M = Cu(II)/Ni(II), the ligand was neutral and tridentate. Another copper complex [CuL(OAc)(H2O)(2)] in which the ligand is tridentate, mono-anionic one was also obtained in an excess of aqueous solution. Antifungal studies of the compounds are also carried out.