(4-methylbenzylidene)hydrazono-2-phenylacetaldehydeoxime | 1404218-62-7

• 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: (4-methylbenzylidene)hydrazono-2-phenylacetaldehydeoxime
• CAS: 1404218-62-7
• 化学式: C₁₆H₁₅N₃O
• 分子量: 265.315
• InChiKey: NSXXZLCHFOBUJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.28
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  57.31
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (4-methylbenzylidene)hydrazono-2-phenylacetaldehydeoxime 、 copper dichloride 以 乙醇 、 水 为溶剂， 以83%的产率得到
  参考文献：
  名称：

  The synthesis of two new isonitrosoacetophenone derivatives and investigation of their Ni(II), Co(II), Cu(II), and Zr(IV) complexes

  摘要：

  In the present study, two new ligands, 4-chlorobenzal-azino-isonitrosoacetophenone (L-1), 4-methylbenzal-azino-isonitrosoacetophenone (L-2) and their metal complexes were synthesized using acetophenone as a starting material. The coloured complexes were prepared by the addition of chloride salts of Ni(II), Co(II), Cu(II) and Zr(IV) ions to a solution of ligands. In conclusion, the structures of the obtained ligands and their complexes were characterized by FT-IR, and H-1 NMR spectra, AAS (atomic absorption spectrum) analysis, magnetic susceptibilities as well as elemental analysis.

  DOI：

  10.1134/s0036023612090124
• 作为产物：
  描述：

  2-异亚硝基苯乙酮 在 hydrazine hydrate 、 potassium carbonate 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 (4-methylbenzylidene)hydrazono-2-phenylacetaldehydeoxime
  参考文献：
  名称：

  The synthesis of two new isonitrosoacetophenone derivatives and investigation of their Ni(II), Co(II), Cu(II), and Zr(IV) complexes

  摘要：

  In the present study, two new ligands, 4-chlorobenzal-azino-isonitrosoacetophenone (L-1), 4-methylbenzal-azino-isonitrosoacetophenone (L-2) and their metal complexes were synthesized using acetophenone as a starting material. The coloured complexes were prepared by the addition of chloride salts of Ni(II), Co(II), Cu(II) and Zr(IV) ions to a solution of ligands. In conclusion, the structures of the obtained ligands and their complexes were characterized by FT-IR, and H-1 NMR spectra, AAS (atomic absorption spectrum) analysis, magnetic susceptibilities as well as elemental analysis.

  DOI：

  10.1134/s0036023612090124

文献信息

• Alternative Route Toward Nitrones: Experimental and Theoretical Findings
  作者：Damir A. Safin、Mariusz P. Mitoraj、Maria G. Babashkina、Piotr Kubisiak、Koen Robeyns、Yaroslav Filinchuk

  DOI：10.1021/acs.joc.6b02821

  日期：2017.2.3

  Nitrones are important building blocks for natural and biologically active compounds, used as spin-trap reagents and therapeutic agents. All this makes nitrones intriguing and valuable compounds for fundamental studies and as useful chemicals in various synthetic strategies. Therefore, nitrones are still of great interest and in the limelight of researches. With our initial goal to solve synthetic

  硝基是天然和生物活性化合物的重要组成部分，用作自旋捕集剂和治疗剂。所有这些使硝酮成为令人感兴趣的有价值的化合物，可用于基础研究以及在各种合成策略中用作有用的化学物质。因此，硝酮仍然是备受关注且受到研究关注的领域。为了解决针对5-苯基-2,2'-联吡啶（Phbpy）的合成问题，我们的最初目标是发现该反应可以通过形成6-苯基-3-（吡啶-2-基）-1来进行， 2,4-triazin-4（3H）-ol（4-OH），可快速异构化为3,4-二氢-1,2,4-三嗪基硝酮，即6-苯基-3-吡啶-2 -yl-2,3-dihydro-1,2,4-triazin-4-oxide（4'），这鼓励我们研究从2-异亚硝基苯乙酮（1）中获得的肼基苯乙醛肟（2）与其他醛的缩合反应。与水杨醛和对甲苯甲醛两者的反应分别产生开链异构体，即（2-羟基亚苄基）肼基-2-苯基乙醛肟（5）和（4-甲基亚苄基）肼基-2-苯基乙醛肟（6