5-(chloromethyl)-3-(furan-2-yl)-1H-pyrazole | 1242769-82-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(chloromethyl)-3-(furan-2-yl)-1H-pyrazole
• CAS: 1242769-82-9
• 化学式: C₈H₇ClN₂O
• 分子量: 182.609
• InChiKey: QLIUOSFOUQGUAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二碳酸二叔丁酯 、 5-(chloromethyl)-3-(furan-2-yl)-1H-pyrazole 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Biaryl ethers as potent allosteric inhibitors of reverse transcriptase and its key mutant viruses: Aryl substituted pyrazole as a surrogate for the pyrazolopyridine motif

  摘要：

  Biaryl ethers were recently reported as potent NNRTIs. Herein, we disclose a detailed effort to modify the previously reported compound 1. We have designed and synthesized a series of novel pyrazole derivatives as a surrogate for pyrazolopyridine motif that were potent inhibitors of HIV-1 RT with nanomolar intrinsic activity on the WT and key mutant enzymes and potent antiviral activity in infected cells. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.083
• 作为产物：
  描述：

  [5-(2-呋喃基)-1H-吡唑-3-基]甲醇 在 氯化亚砜 作用下， 以95%的产率得到5-(chloromethyl)-3-(furan-2-yl)-1H-pyrazole
  参考文献：
  名称：

  Biaryl ethers as potent allosteric inhibitors of reverse transcriptase and its key mutant viruses: Aryl substituted pyrazole as a surrogate for the pyrazolopyridine motif

  摘要：

  Biaryl ethers were recently reported as potent NNRTIs. Herein, we disclose a detailed effort to modify the previously reported compound 1. We have designed and synthesized a series of novel pyrazole derivatives as a surrogate for pyrazolopyridine motif that were potent inhibitors of HIV-1 RT with nanomolar intrinsic activity on the WT and key mutant enzymes and potent antiviral activity in infected cells. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.083