1,3-Di(imidazol-1-yl)propan-1-one | 174525-86-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,3-Di(imidazol-1-yl)propan-1-one
• CAS: 174525-86-1
• 化学式: C₉H₁₀N₄O
• 分子量: 190.205
• InChiKey: NYUOMWLOYSFARS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  52.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-Di(imidazol-1-yl)propan-1-one 、 2-异丙基苯胺 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以78%的产率得到3-imidazol-1-yl-N-(2-propan-2-ylphenyl)propanamide
  参考文献：
  名称：

  One-pot synthesis of β-imidazolylpropionamides

  摘要：

  New efficient one-pot methodology for the preparative synthesis of beta-imidazolylpropionamides was elaborated. It is based on the addition of imidazole to the activated double bond of the intermediate acrylimidazolide in the reaction between diverse acrylic acids and different amines promoted by CDI. A set of structurally and functionally diverse beta-imidazolylpropionamides was obtained in high preparative yields. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.096
• 作为产物：
  描述：

  丙烯酸 、 N,N'-羰基二咪唑 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 1,3-Di(imidazol-1-yl)propan-1-one
  参考文献：
  名称：

  One-pot synthesis of β-imidazolylpropionamides

  摘要：

  New efficient one-pot methodology for the preparative synthesis of beta-imidazolylpropionamides was elaborated. It is based on the addition of imidazole to the activated double bond of the intermediate acrylimidazolide in the reaction between diverse acrylic acids and different amines promoted by CDI. A set of structurally and functionally diverse beta-imidazolylpropionamides was obtained in high preparative yields. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.096

文献信息

• BENZIMIDAZOLE DERIVATIVE
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0711768A1

  公开（公告）日：1996-05-15

  Disclosed are compounds represented by the following chemical formula (I) and pharmacologically acceptable salts thereof which are novel compounds useful as anticancer agents, antiviral agents or antimicrobial agents.

  所公开的是由以下化学式（I）代表的化合物及其药理学上可接受的盐类，它们是可用作抗癌剂、抗病毒剂或抗菌剂的新型化合物。
• US5852011A
  申请人：——

  公开号：US5852011A

  公开（公告）日：1998-12-22
• One-pot synthesis of β-imidazolylpropionamides
  作者：Sergey V. Ryabukhin、Dmitry S. Granat、Pavel V. Khodakovskiy、Alexander N. Shivanyuk、Andrey A. Tolmachev

  DOI：10.1016/j.tetlet.2008.04.096

  日期：2008.6

  New efficient one-pot methodology for the preparative synthesis of beta-imidazolylpropionamides was elaborated. It is based on the addition of imidazole to the activated double bond of the intermediate acrylimidazolide in the reaction between diverse acrylic acids and different amines promoted by CDI. A set of structurally and functionally diverse beta-imidazolylpropionamides was obtained in high preparative yields. (C) 2008 Elsevier Ltd. All rights reserved.