2-(4-咪唑基)乙基溴 | 1142953-56-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(4-咪唑基)乙基溴
• 英文名称: 2-(4-imidazolyl)ethyl bromide
• 英文别名: 4-(2-bromoethyl)-1H-Pyrazole；4-(2-bromoethyl)-1H-pyrazole
• CAS: 1142953-56-7
• 化学式: C₅H₇BrN₂
• 分子量: 175.028
• InChiKey: JYBYTUYNMSBOFY-UHFFFAOYSA-N

物化性质

• 沸点：
  282.1±15.0 °C(Predicted)
• 密度：
  1.636±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  二甲基环糊精 、 2-(4-咪唑基)乙基溴 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 10.0h， 生成 c-3-<2-(4-imidazolyl)ethyl>dimethyl-β-cyclodextrin
  参考文献：
  名称：

  Analytical applications of catalytic properties of modified cyclodextrins

  摘要：

  This paper describes the evaluation of the catalytic properties of modified cyclodextrins for analytical applications. The beta-dimethylcyclodextrin was modified by adding one and two imidazolyl groups at carbon three positions. The modifications produced enhancements of catalytic activity for the hydrolysis of p-nitrophenyl acetate at neutral pH by factors of 1000 or more relative to the unmodified cyclodextrins. The catalytic properties of the monosubstituted cyclodextrin were evaluated for the quantification of p-nitrophenyl acetate in the concentration range of 10-90 mumol/L. Results obtained by- equilibrium, initial-rate, and error-compensating predictive kinetic methods were compared. The equilibrium and predictive kinetic options yielded virtually identical results, with linear changes with concentration throughout the range studied and severalfold larger than the initial-rate option and dependencies on temperature, pH, and catalyst concentration that are 5-10-fold smaller than the initial-rate option.

  DOI：

  10.1021/ac00067a003
• 作为产物：
  描述：

  2-(1H-吡唑-4-基)乙醇 在 四溴化碳 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 2-(4-咪唑基)乙基溴
  参考文献：
  名称：

  5-HT 1A部分激动剂氨基嘧啶系列的合成与药理评价

  摘要：

  氨基嘧啶2（4-（1-（2-（1 H-吲哚-3-基）乙基）哌啶-3-基）-N-环丙基嘧啶-2-胺作为一种新型5-HT从高通量筛选中出来。1A激动剂。该化合物在结合和功能测定中显示了对5-HT 1A中等的效力，以及中等的代谢稳定性。通过降低亲脂性（c  Log  D）来改善代谢稳定性的策略的实施导致鉴定了甲醚31（4-（1-（2-（1-（2-（1 H-吲哚-3-基）乙基））哌啶-3-基）-N-（2-甲氧基乙基）嘧啶-2-胺），是该系列中一种显着改进的化合物。

  DOI：

  10.1016/j.bmcl.2008.12.087

文献信息

• Synthesis and pharmacological evaluation of aminopyrimidine series of 5-HT1A partial agonists
  作者：Amy B. Dounay、Nancy S. Barta、Jack A. Bikker、Susan A. Borosky、Brian M. Campbell、Terry Crawford、Lynne Denny、Lori M. Evans、David L. Gray、Pil Lee、Edward A. Lenoir、Wenjian Xu

  DOI：10.1016/j.bmcl.2008.12.087

  日期：2009.2

  the lipophilicity (c Log D) led to identification of methyl ether 31 (4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N-(2-methoxyethyl)pyrimidin-2-amine) as a substantially improved compound within the series.

  氨基嘧啶2（4-（1-（2-（1 H-吲哚-3-基）乙基）哌啶-3-基）-N-环丙基嘧啶-2-胺作为一种新型5-HT从高通量筛选中出来。1A激动剂。该化合物在结合和功能测定中显示了对5-HT 1A中等的效力，以及中等的代谢稳定性。通过降低亲脂性（c  Log  D）来改善代谢稳定性的策略的实施导致鉴定了甲醚31（4-（1-（2-（1-（2-（1 H-吲哚-3-基）乙基））哌啶-3-基）-N-（2-甲氧基乙基）嘧啶-2-胺），是该系列中一种显着改进的化合物。
• Analytical applications of catalytic properties of modified cyclodextrins
  作者：Ellen Tuanying. Chen、Harry L. Pardue

  DOI：10.1021/ac00067a003

  日期：1993.10.1

  This paper describes the evaluation of the catalytic properties of modified cyclodextrins for analytical applications. The beta-dimethylcyclodextrin was modified by adding one and two imidazolyl groups at carbon three positions. The modifications produced enhancements of catalytic activity for the hydrolysis of p-nitrophenyl acetate at neutral pH by factors of 1000 or more relative to the unmodified cyclodextrins. The catalytic properties of the monosubstituted cyclodextrin were evaluated for the quantification of p-nitrophenyl acetate in the concentration range of 10-90 mumol/L. Results obtained by- equilibrium, initial-rate, and error-compensating predictive kinetic methods were compared. The equilibrium and predictive kinetic options yielded virtually identical results, with linear changes with concentration throughout the range studied and severalfold larger than the initial-rate option and dependencies on temperature, pH, and catalyst concentration that are 5-10-fold smaller than the initial-rate option.