1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-amino-1H-pyrazole-4-carboxamide | 623584-51-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-amino-1H-pyrazole-4-carboxamide
• 英文别名: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
• CAS: 623584-51-0
• 化学式: C₁₁H₇Cl₂F₃N₄O
• 分子量: 339.104
• InChiKey: NNYOARCIHUSBHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  86.9
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-amino-1H-pyrazole-4-carboxamide 、 formamide 反应 0.33h， 以77%的产率得到1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidine-4-ol
  参考文献：
  名称：

  Microwave-assisted protocols for the expedited synthesis of pyrazolo[1,5-a] and [3,4-d]pyrimidines

  摘要：

  General, high-yielding MAOS protocols for the expedited synthesis of functionalized pyrazolo[1,5-a]pyrimidines and pyrazolo[3,4-b]pyrimidines, as well as their pyrazole precursors, are described amenable to an iterative analogue library synthesis strategy for lead optimization. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.11.054
• 作为产物：
  描述：

  5-amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-pyrazole 在 硫酸 作用下， 反应 1.0h， 生成 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-amino-1H-pyrazole-4-carboxamide
  参考文献：
  名称：

  Microwave-assisted protocols for the expedited synthesis of pyrazolo[1,5-a] and [3,4-d]pyrimidines

  摘要：

  General, high-yielding MAOS protocols for the expedited synthesis of functionalized pyrazolo[1,5-a]pyrimidines and pyrazolo[3,4-b]pyrimidines, as well as their pyrazole precursors, are described amenable to an iterative analogue library synthesis strategy for lead optimization. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.11.054

文献信息

• Substituted pyrazolo-pyrimidine-4-ones
  申请人：Linker Karl-Heinz

  公开号：US20050209251A1

  公开（公告）日：2005-09-22

  The invention relates to compounds of the formula (I) in which Q, R 1 and R 2 are as defined in the description, to a process for the preparation and to their use as herbicides and/or nematicides.
• Microwave-assisted protocols for the expedited synthesis of pyrazolo[1,5-a] and [3,4-d]pyrimidines
  作者：R. Nathan Daniels、Kwangho Kim、Evan P. Lebois、Hubert Muchalski、Mary Hughes、Craig W. Lindsley

  DOI：10.1016/j.tetlet.2007.11.054

  日期：2008.1

  General, high-yielding MAOS protocols for the expedited synthesis of functionalized pyrazolo[1,5-a]pyrimidines and pyrazolo[3,4-b]pyrimidines, as well as their pyrazole precursors, are described amenable to an iterative analogue library synthesis strategy for lead optimization. (c) 2007 Elsevier Ltd. All rights reserved.