2-benzoimidazol-1-ylmethyl-aniline | 14716-42-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-benzoimidazol-1-ylmethyl-aniline
• 英文别名: 2-[(1H-Benzimidazol-1-yl)methyl]aniline；2-(benzimidazol-1-ylmethyl)aniline
• CAS: 14716-42-8
• 化学式: C₁₄H₁₃N₃
• mdl: MFCD09809897
• 分子量: 223.277
• InChiKey: ZDSSFKCWVMNIII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  四氢呋喃 、 1-[(2-硝基苯基)甲基]苯并咪唑 在 氢气 作用下， 20.0 ℃ 、101.33 kPa 条件下， 反应 96.0h， 以30%的产率得到4-{1''-[(2'-aminophenyl)methyl]benzimidazole}butan-1-ol
  参考文献：
  名称：

  A new palladium-mediated approach to 4-N-arylamino-1-butanols from peroxidic tetrahydrofuran and primary aromatic amines

  摘要：

  Reaction of primary aromatic amines with peroxidic tetrahydrofuran (THF) in the presence of hydrogen and 10%, palladium on carbon catalyst results in THF ring opening to give 4-N-arylamino-1-butanols in a good yield. The reaction mechanism is believed to involve a free-radical sequence resulting in an imino alcohol subsequently reduced to product. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.136

文献信息

• A new palladium-mediated approach to 4-N-arylamino-1-butanols from peroxidic tetrahydrofuran and primary aromatic amines
  作者：Henry F. Russell、John B. Bremner、Jennifer Bushelle-Edghill、Melissa R. Lewis、Stacey R. Thomas、Floyd Bates

  DOI：10.1016/j.tetlet.2006.12.136

  日期：2007.2

  Reaction of primary aromatic amines with peroxidic tetrahydrofuran (THF) in the presence of hydrogen and 10%, palladium on carbon catalyst results in THF ring opening to give 4-N-arylamino-1-butanols in a good yield. The reaction mechanism is believed to involve a free-radical sequence resulting in an imino alcohol subsequently reduced to product. (c) 2007 Elsevier Ltd. All rights reserved.