1-[(4-fluorophenyl)carbonyl]-4-(pyridin-2-yl)piperazine | 332168-99-7

• 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-[(4-fluorophenyl)carbonyl]-4-(pyridin-2-yl)piperazine
• 英文别名: 4-Fluorophenyl 4-(2-pyridyl)piperazinyl ketone；(4-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
• CAS: 332168-99-7
• 化学式: C₁₆H₁₆FN₃O
• 分子量: 285.321
• InChiKey: BLVYYAVHCIXTEX-UHFFFAOYSA-N

物化性质

• 溶解度：
  >42.8 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  36.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(2-吡啶基)哌嗪 、 对氟苯甲酰氯 在 polymer-supported N-methylmorpholine 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以77%的产率得到1-[(4-fluorophenyl)carbonyl]-4-(pyridin-2-yl)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

• 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.