1-(cyclohexylcarbonyl)-4-(2-pyridinyl)piperazine | 335282-40-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(cyclohexylcarbonyl)-4-(2-pyridinyl)piperazine
• 英文别名: 1-(cyclohexylcarbonyl)-4-(pyridin-2-yl)piperazine；Cyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone
• CAS: 335282-40-1
• 化学式: C₁₆H₂₃N₃O
• 分子量: 273.378
• InChiKey: DXUYFXQIWIBLDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  36.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(2-吡啶基)哌嗪 、 环己甲酰氯 在 polymer-supported N-methylmorpholine 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以80%的产率得到1-(cyclohexylcarbonyl)-4-(2-pyridinyl)piperazine
  参考文献：
  名称：

  Synthesis and solid state study of pyridine- and pyrimidine-based fragment libraries

  摘要：

  A library of pyridines and pyrimidines has been synthesised in excellent yields employing microwave and flow chemistry methodologies. Work-up bottlenecks have been facilitated substantially by the use of supported reagents and many of the final compounds have been studied in the solid state by single crystal X-ray diffraction. Crown Copyright (C) 2011 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.07.147

文献信息

• INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS
  申请人：TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

  公开号：US20160122362A1

  公开（公告）日：2016-05-05

  Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type 1 are identified and methods of use as anti-parasitic compounds are provided.
• US9695193B2
  申请人：——

  公开号：US9695193B2

  公开（公告）日：2017-07-04
• [EN] INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE 1 AS ANTI-PARASITIC COMPOUNDS<br/>[FR] INHIBITEURS DU TRANSPORTEUR DE NUCLÉOSIDES ÉQUILIBRANT DE TYPE 1 DE PLASMODIUM FALCIPARUM EN TANT QUE COMPOSÉS ANTI-PARASITAIRES
  申请人：UNIV COLUMBIA

  公开号：WO2014210319A2

  公开（公告）日：2014-12-31

  Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type 1 are identified and methods of use as anti-parasitic compounds are provided.
• Synthesis and solid state study of pyridine- and pyrimidine-based fragment libraries
  作者：John Spencer、Hiren Patel、Samantha K. Callear、Simon J. Coles、John J. Deadman

  DOI：10.1016/j.tetlet.2011.07.147

  日期：2011.11

  A library of pyridines and pyrimidines has been synthesised in excellent yields employing microwave and flow chemistry methodologies. Work-up bottlenecks have been facilitated substantially by the use of supported reagents and many of the final compounds have been studied in the solid state by single crystal X-ray diffraction. Crown Copyright (C) 2011 Published by Elsevier Ltd. All rights reserved.