2-(hydroxyimino)-3-oxobutanal | 343926-23-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(hydroxyimino)-3-oxobutanal
• 英文别名: 2-hydroxyimino-3-oxobutanal
• CAS: 343926-23-8
• 化学式: C₄H₅NO₃
• 分子量: 115.089
• InChiKey: USHZVGQGQFAWLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  8.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  66.73
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(hydroxyimino)-3-oxobutanal 、 巯基乙胺 以 水 为溶剂， 反应 0.5h， 以0.305 g的产率得到1-(hydroxyimino)-1-(thiazolidin-2-yl)propan-2-one
  参考文献：
  名称：

  Reaction of alkyl- and arylamines with 2-(hydroxyimino)-3-oxobutanal

  摘要：

  The condensation of 2-(hydroxyimino)-3-oxobutanal with primary aliphatic amines, cyclohexanamine, and amines containing an adamantane fragment afforded 4-(alkylamino)- and 4-(cyclohexylamino)- 3nitrosobut- 3-en-2-ones. Analogous reaction with substituted anilines RC6H4NH2 (R = H, 4-Me, 4-OMe, 4-NH2, 4-Br, 4- I, 3-NO2) led to the formation of 4-aryl-3-hydroxyiminobutan-2-ones.

  DOI：

  10.1134/s1070428017010018
• 作为产物：
  描述：

  乙酰乙醛 在 盐酸 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 0.5h， 生成 2-(hydroxyimino)-3-oxobutanal
  参考文献：
  名称：

  Reaction of alkyl- and arylamines with 2-(hydroxyimino)-3-oxobutanal

  摘要：

  The condensation of 2-(hydroxyimino)-3-oxobutanal with primary aliphatic amines, cyclohexanamine, and amines containing an adamantane fragment afforded 4-(alkylamino)- and 4-(cyclohexylamino)- 3nitrosobut- 3-en-2-ones. Analogous reaction with substituted anilines RC6H4NH2 (R = H, 4-Me, 4-OMe, 4-NH2, 4-Br, 4- I, 3-NO2) led to the formation of 4-aryl-3-hydroxyiminobutan-2-ones.

  DOI：

  10.1134/s1070428017010018

文献信息

• Preparation, spectroscopic investigation and antiproliferative capacity of new metal complexes of (3E)-2-(hydroxyimino)-N-P-Tolyl-3-(P-tolylimino) butanamide
  作者：Abdou Saad El-Tabl、Moshira Mohamed Abd El-wahed、Samar Ebrahim Abd El-Razek

  DOI：10.1016/j.saa.2012.11.056

  日期：2013.3

  Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Sr(II), Hg(II), Tl(I), UO2(II) and ZrO(II) complexes of (3E)-2-(hydroxyimino)-N-P-Tolyl-3-(P-tolylimino) butanamide have been prepared and characterized by elemental analyses, IR, UV-Vis spectra, magnetic moments, conductances, H-1 NMR and mass spectra (ligand and its Zn(II) complex), thermal analyses (DTA and TGA) and ESR measurements. The IR data show that, the ligand behaves as monobasic bidentate or neutral bidentate. Molar conductances in DMF indicate that, the complexes are non-electrolytes. ESR spectra of solid Cu(II) complexes at room temperature show axial type (d(x2-y2)) with covalent bond character in an octahedral environment. Complexes showed inhibitory activity against hepatocellular carcinoma (HepG-2 cell line). (C) 2012 Published by Elsevier B.V.
• Reaction of alkyl- and arylamines with 2-(hydroxyimino)-3-oxobutanal
  作者：A. A. Yarofeeva、O. A. Tsutsura、T. A. Frolenko、E. S. Semichenko、A. A. Kondrasenko、G. A. Suboch

  DOI：10.1134/s1070428017010018

  日期：2017.1

  The condensation of 2-(hydroxyimino)-3-oxobutanal with primary aliphatic amines, cyclohexanamine, and amines containing an adamantane fragment afforded 4-(alkylamino)- and 4-(cyclohexylamino)- 3nitrosobut- 3-en-2-ones. Analogous reaction with substituted anilines RC6H4NH2 (R = H, 4-Me, 4-OMe, 4-NH2, 4-Br, 4- I, 3-NO2) led to the formation of 4-aryl-3-hydroxyiminobutan-2-ones.