2-[4-[(1-methyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]pyrimidine | 1343404-02-3

• 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: 2-[4-[(1-methyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]pyrimidine
• 英文别名: (1-Methylpyrrol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone；(1-methylpyrrol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
• CAS: 1343404-02-3
• 化学式: C₁₄H₁₇N₅O
• 分子量: 271.322
• InChiKey: MBELPNRFWFKCBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  54.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-甲基-2-吡咯羧酸 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 18.0h， 生成 2-[4-[(1-methyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]pyrimidine
  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.