N-Hydroxy-2,5-dimethoxybenzimidoyl Chloride | 105363-13-1

• 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: N-Hydroxy-2,5-dimethoxybenzimidoyl Chloride
• 英文别名: N-hydroxy-2,5-dimethoxybenzenecarboximidoyl chloride
• CAS: 105363-13-1
• 化学式: C₉H₁₀ClNO₃
• 分子量: 215.636
• InChiKey: SGTOYCNFMMCYJJ-UHFFFAOYSA-N

物化性质

• 熔点：
  90.5-91.5 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• 沸点：
  381.6±52.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  51
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  双马来酰亚胺 、 N-Hydroxy-2,5-dimethoxybenzimidoyl Chloride 在 三乙胺 作用下， 以 乙醚 为溶剂， 以90%的产率得到(3aR,6aS)-5-[4-[[4-[(3aS,6aR)-3-(2,5-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl]methyl]phenyl]-3-(2,5-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
  参考文献：
  名称：

  1,3-Dipolar Cycloadditions of Aromatic Nitrile Oxides and Nitrones to 1,1'-(Methylenedi-4,1-phenylene)bismaleimide

  摘要：

  在我们旨在利用1,3-二极环加成反应制备杂环化合物以及杀虫剂项目的研究范围内，我们报告了腈氧化物II、III和亚硝酮V与双马来酰亚胺衍生物I的1,3-二极环加成反应。

  DOI：

  10.1135/cccc19921982
• 作为产物：
  描述：

  2,5-二甲氧基苯甲醛 在 吡啶 、 N-氯代丁二酰亚胺 、 盐酸羟胺 作用下， 以 乙醇 、 氯仿 、 水 为溶剂， 反应 2.17h， 生成 N-Hydroxy-2,5-dimethoxybenzimidoyl Chloride
  参考文献：
  名称：

  [60]Fullerene Adducts with Improved Electron Acceptor Properties

  摘要：

  The synthesis of C-60-based dyads in which the C-60 core is covalently attached to a strong electron acceptor moiety such as quinones, TCNQ or DCNQI derivatives, has been carried out by 1,3-dipolar cycloaddition of "in situ" generated azomethyne ylides or nitrile oxides to C-60. As expected, the obtained pyrrolidino[3',4':1,2][60]fullerenes exhibit reduction potentials of the C-60 framework which are cathodically shifted in comparison with the parent C-60. In contrast, isoxazolo[4',5':1,2][60]fullerenes show reduction waves for the fullerene core that are anodically shifted in comparison with the parent C-60, which indicates that they are remarkably stronger accepters than C-60. The electron acceptor organic addend also undergoes an anodic shift due to the electronic interaction with the C-60 moiety. The molecular geometry of pyrrolidinofullerenes has been calculated at the semiempirical PM3 level and reveals a highly distorted geometry for the acceptor moiety in compound 13, and a most stable conformation in which both dicyanomethylene units are far away from the C-60 surface.

  DOI：

  10.1021/jo0003753

文献信息

• An efficient one-pot synthesis of 3-aryl-5-methylisoxazoles from aryl aldehydes
  作者：Shirong Zhu、Shuhao Shi、Samuel W. Gerritz

  DOI：10.1016/j.tetlet.2011.05.104

  日期：2011.8

  An efficient protocol for the one-pot preparation of alkyl 3-aryl-5-methylisoxazole-4-carboxylates from aryl aldehydes is described. This method is readily amenable to the large scale preparation of isoxazoles as well as the parallel synthesis of isoxazole libraries. (C) 2011 Elsevier Ltd. All rights reserved.