4-(5,6-Dichloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester | 578709-48-5

• 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: 4-(5,6-Dichloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 4-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-1-carboxylate
• CAS: 578709-48-5
• 化学式: C₁₇H₂₁Cl₂N₃O₂
• 分子量: 370.279
• InChiKey: QPPUNHHKORTPOV-UHFFFAOYSA-N

物化性质

• 沸点：
  549.1±50.0 °C(Predicted)
• 密度：
  1.329±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  58.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(5,6-Dichloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.5h， 生成 5,6-Dichloro-2-piperidin-4-yl-1H-benzoimidazole
  参考文献：
  名称：

  2-Piperidin-4-yl-benzimidazoles with broad spectrum antibacterial activities

  摘要：

  A series of 2-piperidin-4-yl-benzimidazoles were synthesized and evaluated for antibacterial activities. Certain compounds inhibit bacterial growth with low micromolar minimal inhibitory concentration (MIC). These benzimidazoles arc effective against both Gram-positive and Gram-negative bacteria of clinical importance, particularly entercococci, and represent a new class of potential antibacterial agents. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00661-9
• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 生成 4-(5,6-Dichloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  2-Piperidin-4-yl-benzimidazoles with broad spectrum antibacterial activities

  摘要：

  A series of 2-piperidin-4-yl-benzimidazoles were synthesized and evaluated for antibacterial activities. Certain compounds inhibit bacterial growth with low micromolar minimal inhibitory concentration (MIC). These benzimidazoles arc effective against both Gram-positive and Gram-negative bacteria of clinical importance, particularly entercococci, and represent a new class of potential antibacterial agents. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00661-9

文献信息

• US7244847B2
  申请人：——

  公开号：US7244847B2

  公开（公告）日：2007-07-17
• Synthesis and biological evaluations of novel benzimidazoles as potential antibacterial agents
  作者：Yun He、Jun Yang、Baogen Wu、Lisa Risen、Eric E Swayze

  DOI：10.1016/j.bmcl.2003.12.051

  日期：2004.3

  A series of novel benzimidazole derivatives were synthesized via parallel solution-phase chemistry. Many of these compounds were found to inhibit the growth of Staphylococcus aureus and Escherichia coli. Several analogues exhibited low micromolar minimal inhibitory concentrations (MIC) against both Gram-positive and Gram-negative bacteria of clinical relevance and could serve as leads for further optimizations for antibacterial research. (C) 2003 Elsevier Ltd. All rights reserved.
• 2-Piperidin-4-yl-benzimidazoles with broad spectrum antibacterial activities
  作者：Yun He、Baogen Wu、Jun Yang、Dale Robinson、Lisa Risen、Ray Ranken、Lawrence Blyn、Suzie Sheng、Eric E Swayze

  DOI：10.1016/s0960-894x(03)00661-9

  日期：2003.10

  A series of 2-piperidin-4-yl-benzimidazoles were synthesized and evaluated for antibacterial activities. Certain compounds inhibit bacterial growth with low micromolar minimal inhibitory concentration (MIC). These benzimidazoles arc effective against both Gram-positive and Gram-negative bacteria of clinical importance, particularly entercococci, and represent a new class of potential antibacterial agents. (C) 2003 Elsevier Ltd. All rights reserved.