4-[1-(4-Bromomethyl-benzyl)-5,6-dichloro-1H-benzoimidazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester | 578708-09-5

• 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-[1-(4-Bromomethyl-benzyl)-5,6-dichloro-1H-benzoimidazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 4-[1-[[4-(bromomethyl)phenyl]methyl]-5,6-dichlorobenzimidazol-2-yl]piperidine-1-carboxylate
• CAS: 578708-09-5
• 化学式: C₂₅H₂₈BrCl₂N₃O₂
• 分子量: 553.326
• InChiKey: XGAZNKOJYVLBQJ-UHFFFAOYSA-N

物化性质

• 沸点：
  666.4±55.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[1-(4-Bromomethyl-benzyl)-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 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 [4-(5,6-Dichloro-2-piperidin-4-yl-benzoimidazol-1-ylmethyl)-benzyl]-pentyl-amine
  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：

  1-Boc-4-哌啶甲酸 在 4-二甲氨基吡啶 、 sodium hydroxide 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 生成 4-[1-(4-Bromomethyl-benzyl)-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
• 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.