1-benzyl-2-hydroxyiminomethylbenzimidazole | 62209-30-7

• 英文名称: 1-benzyl-2-hydroxyiminomethylbenzimidazole
• 英文别名: 1-Benzyl-2-(nitrosomethylidene)-2,3-dihydro-1H-benzimidazole；N-[(1-benzylbenzimidazol-2-yl)methylidene]hydroxylamine
• CAS: 62209-30-7
• 化学式: C₁₅H₁₃N₃O
• 分子量: 251.288
• InChiKey: MJOHIJOFGWUVSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  50.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-benzyl-2-hydroxyiminomethylbenzimidazole 、 cobalt(II) chloride 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Chernov'yants; Kuplevatskaya; Anisimova, Russian Journal of Coordination Chemistry, 1998, vol. 24, # 2, p. 104 - 106

  摘要：

  DOI：
• 作为产物：
  描述：

  1-benzyl-1H-benzo[d]imidazole 在 正丁基锂 、 羟胺 作用下， 生成 1-benzyl-2-hydroxyiminomethylbenzimidazole
  参考文献：
  名称：

  Mechanochemical and Conformational Study of N-heterocyclic Carbonyl-Oxime Transformations

  摘要：

  New mechanochemical pathways for the transformation of six N-heterocyclic carbonyl compounds into oximes using hydroxylamine hydrochloride were explored. Reactions were performed first without any base since the heterocyclic moieties (imidazole, benzimidazole, pyridine and quinuclidine) have an intrinsic basic nitrogen atom. This green, solvent free method was suitable for all compounds (up to quantitative yields) except for N-benzyl substituted imidazole and bertzimidazole-2-carbaldehyde. For the slower reacting aldehydes, reactions with liquid assisted grinding and addition of sodium hydroxide were performed as well. Conformational analysis and quantum-chemical calculations revealed steric and electronic reasons for the lower reactivity of N-benzyl substituted derivatives.

  DOI：

  10.5562/cca2476

文献信息

• Kuplevatskaya; Chernov'yants; Anisimova, Russian Journal of Coordination Chemistry, 1996, vol. 22, # 9, p. 633 - 634
  作者：Kuplevatskaya、Chernov'yants、Anisimova、Tsupak

  DOI：——

  日期：——