C-(2-chlorophenyl)-N-(4-chlorophenyl)nitrone | 878561-50-3

• 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: C-(2-chlorophenyl)-N-(4-chlorophenyl)nitrone
• 英文别名: 1-(2-chlorophenyl)-N-(4-chlorophenyl)methanimine oxide
• CAS: 878561-50-3
• 化学式: C₁₃H₉Cl₂NO
• 分子量: 266.127
• InChiKey: JWPFWPCFDQAIKD-UHFFFAOYSA-N

物化性质

• 熔点：
  112 °C(Solv: methanol (67-56-1))
• 沸点：
  409.3±55.0 °C(Predicted)
• 密度：
  1.352±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  C-(2-chlorophenyl)-N-(4-chlorophenyl)nitrone 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以60%的产率得到4-氯-N-(2-氯苄亚基)苯胺
  参考文献：
  名称：

  Matharu, Balbir Kaur; Sharma; Manrao, Journal of the Indian Chemical Society, 2005, vol. 82, # 10, p. 917 - 918

  摘要：

  DOI：
• 作为产物：
  描述：

  对硝基氯苯 在 氯化铵 、 锌 作用下， 以 氯仿 、 水 为溶剂， 反应 1.25h， 生成 C-(2-chlorophenyl)-N-(4-chlorophenyl)nitrone
  参考文献：
  名称：

  Synthesis and Evaluation of Novel 5-cyclohexyl-2-(4″-substitutedphenyl)-3-(2″-substitutedphenyl)4H-2,3,3a,5,6,6a-hexahydropyrrolo[3,4-d]isoxazole-4,6-dione Derivatives for TheirIn VitroAntioxidant and Antibacterial Activities

  摘要：

  1,3‐Dipolar cycloaddition reactions of N‐cyclohexyl maleimide (1) with azomethine N‐oxide (2) have afforded novel isoxazolidine (3) in excellent yield. Their structures have been characterized from their IR, 1H‐NMR, 13C‐NMR, 1H,1H‐COSY, MS(ESI), and elemental analysis techniques. In vitro antibacterial activity of the synthesized compounds were investigated against a representative panel of pathogenic strains specifically two Gram‐positive bacteria (Staphylococcus aureus and Streptococcus pyogenes) and two Gram‐negative bacteria (Pseudomonas aeruginosa and Escherichia coli) using agar‐well diffusion assay. Some of the compounds (3a, 3k, 3n, and 3o) exhibited promising antibacterial activities. All the synthesized compounds have also been screened for their antioxidant activities and were found to be significantly active.

  DOI：

  10.1002/jhet.2543

文献信息

• Synthesis of Benzimidazolones via One-Pot Reaction of Hydroxylamines, Aldehydes, and Trimethylsilyl Cyanide Promoted by Diacetoxyiodobenzene
  作者：Huaiyuan Zhang、Danfeng Huang、Ke-Hu Wang、Jun Li、Yingpeng Su、Yulai Hu

  DOI：10.1021/acs.joc.6b02781

  日期：2017.2.3

  A novel and efficient PhI(OAc)2-promoted one-pot reaction of aromatic hydroxylamines, aldehydes, and TMSCN in the presence of BF3·Et2O is described. A wide variety of N-substituted benzimidazolones are obtained with satisfactory yields under mild reaction conditions. The method was proven to be efficient for the synthesis of benzimidazolone derivatives from readily available starting materials.

  描述了在BF 3 ·Et 2 O的存在下新型有效的由PhI（OAc）2促进的芳族羟胺，醛和TMCSN的单锅反应。在温和的反应条件下以令人满意的产率获得了多种N-取代的苯并咪唑酮。事实证明，该方法对于从容易获得的起始原料合成苯并咪唑酮衍生物是有效的。