1-[(2-乙氧基苯基)甲基]苯并咪唑 | 652976-71-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 1-[(2-乙氧基苯基)甲基]苯并咪唑
• 英文名称: 1-[(2-Ethoxyphenyl)methyl]-1H-benzimidazole
• 英文别名: 1-[(2-ethoxyphenyl)methyl]benzimidazole
• CAS: 652976-71-1
• 化学式: C₁₆H₁₆N₂O
• 分子量: 252.316
• InChiKey: GPHBZMNVFJKLDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[(2-乙氧基苯基)甲基]苯并咪唑 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 dichloro[1,3-bis(2-ethoxybenzyl)benzimidazole-2-ylidene]pyridine palladium(II)
  参考文献：
  名称：

  Synthesis, characterization and the Suzuki–Miyaura coupling reactions of N-heterocyclic carbene–Pd(II)–pyridine (PEPPSI) complexes

  摘要：

  N-heterocyclic carbenes (NHCs) are a significant and powerful class of ligands for transition metals. A new series of air and moisture-stable NHC-PdCl2-pyridine complexes, (2a-f), have been described. With the development of a more efficient catalytic system for the cross-coupling of aryl halides in mind, the catalytic performance of the NHC-PdCl2-pyridine complexes for Suzuki cross-coupling under mild conditions in aqueous N,N-dimethylformamide (DMF) was investigated. Electron-rich and electron-poor aryl chlorides were facilely coupled with boronic acids by NHC-PdCl2-pyridine complexes. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.10.047
• 作为产物：
  描述：

  苯并咪唑 、 2-乙氧基苄氯 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 生成 1-[(2-乙氧基苯基)甲基]苯并咪唑
  参考文献：
  名称：

  Synthesis, characterization and the Suzuki–Miyaura coupling reactions of N-heterocyclic carbene–Pd(II)–pyridine (PEPPSI) complexes

  摘要：

  N-heterocyclic carbenes (NHCs) are a significant and powerful class of ligands for transition metals. A new series of air and moisture-stable NHC-PdCl2-pyridine complexes, (2a-f), have been described. With the development of a more efficient catalytic system for the cross-coupling of aryl halides in mind, the catalytic performance of the NHC-PdCl2-pyridine complexes for Suzuki cross-coupling under mild conditions in aqueous N,N-dimethylformamide (DMF) was investigated. Electron-rich and electron-poor aryl chlorides were facilely coupled with boronic acids by NHC-PdCl2-pyridine complexes. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.10.047

文献信息

• Synthesis, characterization and the Suzuki–Miyaura coupling reactions of N-heterocyclic carbene–Pd(II)–pyridine (PEPPSI) complexes
  作者：Sedat Yaşar、Çağlar Şahin、Murat Arslan、İsmail Özdemir

  DOI：10.1016/j.jorganchem.2014.10.047

  日期：2015.1

  N-heterocyclic carbenes (NHCs) are a significant and powerful class of ligands for transition metals. A new series of air and moisture-stable NHC-PdCl2-pyridine complexes, (2a-f), have been described. With the development of a more efficient catalytic system for the cross-coupling of aryl halides in mind, the catalytic performance of the NHC-PdCl2-pyridine complexes for Suzuki cross-coupling under mild conditions in aqueous N,N-dimethylformamide (DMF) was investigated. Electron-rich and electron-poor aryl chlorides were facilely coupled with boronic acids by NHC-PdCl2-pyridine complexes. (C) 2014 Elsevier B.V. All rights reserved.