1-(cyclopent-1-yl)imidazole

• 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-(cyclopent-1-yl)imidazole
• 英文别名: 1-cyclopentylimidazole；1-Cyclopentyl-1H-imidazole
• 化学式: C₈H₁₂N₂
• 分子量: 136.197
• InChiKey: MRXUDQKHRDLLHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(cyclopent-1-yl)imidazole 、 溴代十四烷 以 乙腈 为溶剂， 反应 72.0h， 以84%的产率得到1-cyclopentyl-3-tetradecylimidazol-3-ium bromide
  参考文献：
  名称：

  LuxR dependent quorum sensing inhibition by N,N′-disubstituted imidazolium salts

  摘要：

  Thirty N,N'-disubstituted imidazolium salts have been synthesized and evaluated as LuxR antagonists. Substitution on one of the imidazolium nitrogen atoms includes benzhydryl, fluorenyl or cyclopentyl substituent, and alkyl chains of various lengths on the second one. Most of these compounds displayed antagonist activity, with IC(50) reaching the micromolar range for the most active ones. The disubstituted imidazolium scaffold is thus shown to be a new pertinent pharmacophore in the field of AHL dependent QS inhibition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.06.075
• 作为产物：
  描述：

  咪唑 、 溴代环戊烷 以 N-甲基乙酰胺 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-(cyclopent-1-yl)imidazole
  参考文献：
  名称：

  Pharmaceutically active imidazole derivatives

  摘要：

  这项发明涉及一类由环烷基或环烯基取代的咪唑类化合物，具有药理特性，使它们在医学上特别在预防和治疗血栓栓塞性疾病方面有用。

  公开号：

  US04284641A1

文献信息

• Neutral Dinuclear Silver(I)–NHC Complexes: Synthesis and Photophysics
  作者：Alexander Poethig、Thomas Strassner

  DOI：10.1021/om200860y

  日期：2011.12.26

  We report the synthesis and characterization of a new anionic pincer-type μ2-η2(1κCcarbene:2κC′carbene)–C*–N–C*) ligand with a triazine core. Hydrolysis of one chloro substituent of the cyanuric chloride leads to the hydroxy-2,4-dichloro-1,3,5-triazine and the corresponding bis(imidazolium) salts, which, after deprotonation, serve as monoanionic ligands. Treatment of the bis(imidazolium) precursor with

  我们报告一个新的阴离子钳类型的合成和表征μ 2 -η 2（1κC卡宾：2κC'卡宾）–C * –N–C *）配体具有三嗪核心。氰尿酰氯的一个氯取代基的水解产生羟基-2,4-二氯-1,3,5-三嗪和相应的双（咪唑鎓）盐，它们在去质子化后用作单阴离子配体。用氧化银（I）处理双（咪唑鎓）前体会产生具有有趣的光物理性质（光谱的深蓝色区域中的磷光发射）的稳定的银（I）-NHC络合物。根据NHC配体的取代模式，发射可以在417 nm和480 nm之间转移。X射线结构分析揭示了这些复合物的二聚体结构。
• Pharmaceutically active imidazole derivatives
  申请人：Burroughs Wellcome Co.

  公开号：US04284641A1

  公开（公告）日：1981-08-18

  The invention relates to a class of imidazoles substituted by cycloalkyl or cycloalkenyl which have pharmacological properties making them useful in medicine, in particular in the prophylaxis and treatment of thrombo-embolic disorders.

  这项发明涉及一类由环烷基或环烯基取代的咪唑类化合物，具有药理特性，使它们在医学上特别在预防和治疗血栓栓塞性疾病方面有用。
• A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism
  作者：Yanxue Geng、Weijun Sun、Weixu Zhang、Mengyao Li、Guo Wang、Jianchun Wang

  DOI：10.1039/d3nj04766k

  日期：——

  5-substituted-1H-imidazol-3-ium-3-yl)-3,6-dihydro-1,2,4,5-tetrazin-3-ides (3a–3z, 3aa–3ak) was synthesized with medium to good yield by the reaction of 3,6-dichloro-1,2,4,5-tetrazine with a variety of substituted imidazoles in the presence of trace water in solvents. The quinoidal-like structure of these compounds was demonstrated via spectroscopic methods, X-ray diffraction techniques, and computational chemistry

  一系列 6-氧代-3-(1,2,4,5-取代-1H-咪唑-3-鎓-3-基)-3,6-二氢-1,2,4,5-四嗪- 3,6-二氯-1,2,4,5-四嗪与多种取代咪唑在微量水存在下反应合成了3- ides ( 3a–3z , 3aa–3ak )，收率中等至良好在溶剂中。这些化合物的醌状结构通过光谱方法、X 射线衍射技术和计算化学得到了证明。此外，使用水- 18 O通过高分辨率质谱（HRMS）证明四嗪酮中的氧来自溶剂中的水。此外，还提出了芳香族亲核取代的可能机制。
• Pharmaceutical Formulations comprising 1-substituted imidazoles, 1-substituted imidazoles and 1-substituted imidazoles for use in the treatment or prophylaxis of thrombo-embolic disorders
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0000951A1

  公开（公告）日：1979-03-07

  The invention relates to the use in medicine of 1-alkylimidazoles of formula in which A is a straight or branched, saturated or unsaturated acyclic hydrocarbon radical of from 1 to 3 carbon atoms; n is 0 or 1; and R is a cycloalkyl or cycloalkenyl radical of from 4 to 9 carbon atoms and optionally substituted by one, two, three or more alkyl radicals each containing from 1 to 4 carbon atoms, or, when n is 1, A and R together form an alkyl radical of from 4 to 7 carbon atoms or an alkenyl or alkynyl radical of from 4 to 9 carbon atoms, the imidazole being the free base or a pharmaceutically acceptable salt thereof. The 1-alkylimidazoles in which n is 0 and R ist cycloalkyl or cycloalkenyl are novel, as are those when A and R together form an alkenyl radical. Methods of preparing the 1-alkylimidazoles are disclosed. The 1-alkylimidazoles have pharmacological properties of use in medicine, in particular for the treatment or prophylaxis of thrombo-embolic disorders.

  本发明涉及式 1-烷基咪唑的医药用途。 其中 A 是 1 至 3 个碳原子的直链或支链、饱和或不饱和的无环烃基；n 是 0 或 1；和 R 是 4 至 9 个碳原子的环烷基或环烯烃基，并可选择被一个、两个、三个或多个烷基取代，每个烷基含有 1 至 4 个碳原子，或者，当 n 为 1 时，A 和 R 共同形成 4 至 7 个碳原子的烷基或 4 至 9 个碳原子的烯基或炔基，咪唑为游离基或其药学上可接受的盐。 n为0、R为环烷基或环烷烯基时的1-烷基咪唑是新颖的，A和R共同形成烯基时的1-烷基咪唑也是新颖的。 本发明公开了制备 1-烷基咪唑的方法。 1-烷基咪唑具有药理特性，可用于医药，特别是用于治疗或预防血栓栓塞性疾病。
• ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS
  申请人：Merck Patent GmbH

  公开号：EP2820105A1

  公开（公告）日：2015-01-07