6-nitro-N-(3-(pyrrolidin-1-yl)propyl)benzo[d]oxazol-2-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 6-nitro-N-(3-(pyrrolidin-1-yl)propyl)benzo[d]oxazol-2-amine
• 英文别名: 6-nitro-N-(3-pyrrolidin-1-ylpropyl)-1,3-benzoxazol-2-amine
• 化学式: C₁₄H₁₈N₄O₃
• 分子量: 290.322
• InChiKey: GTCRAHKCQHYXBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  87.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-nitro-N-(3-(pyrrolidin-1-yl)propyl)benzo[d]oxazol-2-amine 在 platinum(IV) oxide 、 氢气 作用下， 以 甲醇 为溶剂， 23.0 ℃ 、103.42 kPa 条件下， 反应 12.25h， 以79%的产率得到N²-(3-(pyrrolidin-1-yl)propyl)benzo[d]oxazole-2,6-diamine
  参考文献：
  名称：

  2-Aminobenzoxazole ligands of the hepatitis C virus internal ribosome entry site

  摘要：

  2-Aminobenzoxazoles have been synthesized as ligands for the hepatitis C virus (HCV) internal ribosome entry site (IRES) RNA. The compounds were designed to explore the less basic benzoxazole system as a replacement for the core scaffold in previously discovered benzimidazole viral translation inhibitors. Structure-activity relationships in the target binding of substituted benzoxazole ligands were investigated. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.05.088
• 作为产物：
  描述：

  2-氨基-5-硝基苯酚 在 草酰氯 、 potassium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 89.92h， 生成 6-nitro-N-(3-(pyrrolidin-1-yl)propyl)benzo[d]oxazol-2-amine
  参考文献：
  名称：

  2-Aminobenzoxazole ligands of the hepatitis C virus internal ribosome entry site

  摘要：

  2-Aminobenzoxazoles have been synthesized as ligands for the hepatitis C virus (HCV) internal ribosome entry site (IRES) RNA. The compounds were designed to explore the less basic benzoxazole system as a replacement for the core scaffold in previously discovered benzimidazole viral translation inhibitors. Structure-activity relationships in the target binding of substituted benzoxazole ligands were investigated. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.05.088

文献信息

• 2-Aminobenzoxazole ligands of the hepatitis C virus internal ribosome entry site
  作者：Kevin D. Rynearson、Brian Charrette、Christopher Gabriel、Jesus Moreno、Mark A. Boerneke、Sergey M. Dibrov、Thomas Hermann

  DOI：10.1016/j.bmcl.2014.05.088

  日期：2014.8

  2-Aminobenzoxazoles have been synthesized as ligands for the hepatitis C virus (HCV) internal ribosome entry site (IRES) RNA. The compounds were designed to explore the less basic benzoxazole system as a replacement for the core scaffold in previously discovered benzimidazole viral translation inhibitors. Structure-activity relationships in the target binding of substituted benzoxazole ligands were investigated. (C) 2014 Elsevier Ltd. All rights reserved.