3-(5-methyl-1H-imidazol-2-yl)pyridine | 63411-74-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-(5-methyl-1H-imidazol-2-yl)pyridine
• 英文别名: 4(5)-Methyl-2-(3-pyridyl)imidazol；3-(4-methyl-1(3)H-imidazol-2-yl)-pyridine
• CAS: 63411-74-5
• 化学式: C₉H₉N₃
• 分子量: 159.191
• InChiKey: WGYUEZQGJJLCKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-吡啶甲脒 、 一氯丙酮 在 potassium hydrogencarbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.5h， 以82.7%的产率得到3-(5-methyl-1H-imidazol-2-yl)pyridine
  参考文献：
  名称：

  An Optimized Process for Formation of 2,4-Disubstituted Imidazoles from Condensation of Amidines and α-Haloketones

  摘要：

  The preparation of 2,4-disubstituted imidazoles from the condensation of alpha-haloketones with amidines is described. The optimal reaction protocol is to add the alpha-bromoketone solution to the amidine in aqueous tetrahydrofuran in the presence of potassium bicarbonate under vigorous reflux. Imidazole was isolated in 83-91% yield with >95% purity without column chromatography.

  DOI：

  10.1021/op025552b

文献信息

• Organometallic complexes, and organic electroluminescent device and display using the same
  申请人：SAMSUNG ELECTRONICS CO., LTD.

  公开号：US10411199B2

  公开（公告）日：2019-09-10

  An organometallic complex represented by Chemical Formula 1: wherein M, CyN, CyC, X1, X2, R1 to R4, R′ and n are described in the specification.

  化学式 1 所代表的有机金属复合物： 其中 M、CyN、CyC、X1、X2、R1 至 R4、R′ 和 n 已在说明书中说明。
• An Optimized Process for Formation of 2,4-Disubstituted Imidazoles from Condensation of Amidines and α-Haloketones
  作者：Bryan Li、Charles K.-F. Chiu、Richard F. Hank、Jerry Murry、Joshua Roth、Harry Tobiassen

  DOI：10.1021/op025552b

  日期：2002.9.1

  The preparation of 2,4-disubstituted imidazoles from the condensation of alpha-haloketones with amidines is described. The optimal reaction protocol is to add the alpha-bromoketone solution to the amidine in aqueous tetrahydrofuran in the presence of potassium bicarbonate under vigorous reflux. Imidazole was isolated in 83-91% yield with >95% purity without column chromatography.
• EP2743274B1
  申请人：——

  公开号：EP2743274B1

  公开（公告）日：2017-08-09
• 6,7-DIHYDROPYRAZOLO[1,5- ]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLU2 RECEPTORS
  申请人：Janssen Pharmaceutica NV

  公开号：EP3227295B1

  公开（公告）日：2019-02-20
• ORGANOMETALLIC COMPLEXES, AND ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY USING THE SAME
  申请人：CHEIL INDUSTRIES INC.

  公开号：US20140158998A1

  公开（公告）日：2014-06-12

  An organometallic complex represented by Chemical Formula 1: wherein M, CyN, CyC, X 1 , X 2 , R 1 to R 4 , R′ and n are described in the specification.