1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-iodo-3-methylthiopyrazol-5-ylamine | 321846-05-3

• 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]-4-iodo-3-methylthiopyrazol-5-ylamine
• 英文别名: 2-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-iodo-5-methylsulfanylpyrazol-3-amine
• CAS: 321846-05-3
• 化学式: C₁₁H₇Cl₂F₃IN₃S
• 分子量: 468.068
• InChiKey: RLKPTPBBRCFHEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  69.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-iodo-3-methylthiopyrazol-5-ylamine 在 亚硝酸异戊酯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以100%的产率得到1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-iodo-3-methylsulfanylpyrazole
  参考文献：
  名称：

  Synthesis and GABA receptor potency of 3-thiomethyl-4-(hetero)aryl-5-amino-1-phenylpyrazoles

  摘要：

  A convenient synthetic route to novel 4-arylpyrazoles is described. The potential for insecticidal activity through GABA channel blockage by this series of compounds, as well as their selectivity for insect versus mammalian receptors, are explored through in vitro and in vivo assays. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.033
• 作为产物：
  描述：

  2,6-二氯-4-三氟甲基苯肼 在 lithium hydroxide 、 N-碘代丁二酰亚胺 作用下， 以 甲醇 、 异丙醇 、 乙腈 为溶剂， 反应 32.5h， 生成 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-iodo-3-methylthiopyrazol-5-ylamine
  参考文献：
  名称：

  Synthesis and GABA receptor potency of 3-thiomethyl-4-(hetero)aryl-5-amino-1-phenylpyrazoles

  摘要：

  A convenient synthetic route to novel 4-arylpyrazoles is described. The potential for insecticidal activity through GABA channel blockage by this series of compounds, as well as their selectivity for insect versus mammalian receptors, are explored through in vitro and in vivo assays. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.033

文献信息

• US6518266B1
  申请人：——

  公开号：US6518266B1

  公开（公告）日：2003-02-11
• Synthesis and GABA receptor potency of 3-thiomethyl-4-(hetero)aryl-5-amino-1-phenylpyrazoles
  作者：Sanath K. Meegalla、Dario Doller、DeYou Sha、Rich Soll、Nancy Wisnewski、Gary M. Silver、Dale Dhanoa

  DOI：10.1016/j.bmcl.2004.07.033

  日期：2004.10

  A convenient synthetic route to novel 4-arylpyrazoles is described. The potential for insecticidal activity through GABA channel blockage by this series of compounds, as well as their selectivity for insect versus mammalian receptors, are explored through in vitro and in vivo assays. (C) 2004 Elsevier Ltd. All rights reserved.