(5-Bromo-3-methylpentoxy)benzene | 1149748-48-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (5-Bromo-3-methylpentoxy)benzene
• CAS: 1149748-48-0
• 化学式: C₁₂H₁₇BrO
• 分子量: 257.17
• InChiKey: WPZSSBJSCBCWLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  间硝基苯酚 、 (5-Bromo-3-methylpentoxy)benzene 在 potassium carbonate 、 potassium iodide 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 3.0h， 生成 1-((3-methyl-5-phenoxypentyl)oxy)-3-nitrobenzene
  参考文献：
  名称：

  Design, synthesis, and anti-HCV activity of thiourea compounds

  摘要：

  A series of thiourea derivatives were synthesized and their antiviral activity was evaluated in a cell-based HCV subgenomic replicon assay. SAR studies revealed that the chain length and the position of the alkyl linker largely influenced the in vitro anti-HCV activity of this class of potent antiviral agents. Among this series of compounds synthesized, the thiourea derivative with a six-carbon alkyl linker at the meta-position of the central phenyl ring (10) was identified as the most potent anti-HCV inhibitor (EC50 = 0.047 mu M) with a selectivity index of 596. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.048
• 作为产物：
  描述：

  1,5-二溴-3-甲基戊烷 、 苯酚 在 potassium carbonate 、 potassium iodide 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 3.0h， 生成 (5-Bromo-3-methylpentoxy)benzene
  参考文献：
  名称：

  Design, synthesis, and anti-HCV activity of thiourea compounds

  摘要：

  A series of thiourea derivatives were synthesized and their antiviral activity was evaluated in a cell-based HCV subgenomic replicon assay. SAR studies revealed that the chain length and the position of the alkyl linker largely influenced the in vitro anti-HCV activity of this class of potent antiviral agents. Among this series of compounds synthesized, the thiourea derivative with a six-carbon alkyl linker at the meta-position of the central phenyl ring (10) was identified as the most potent anti-HCV inhibitor (EC50 = 0.047 mu M) with a selectivity index of 596. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.048

文献信息

• Design, synthesis, and anti-HCV activity of thiourea compounds
  作者：Iou-Jiun Kang、Li-Wen Wang、Chung-Chi Lee、Yen-Chun Lee、Yu-Sheng Chao、Tsu-An Hsu、Jyh-Haur Chern

  DOI：10.1016/j.bmcl.2009.02.048

  日期：2009.4

  A series of thiourea derivatives were synthesized and their antiviral activity was evaluated in a cell-based HCV subgenomic replicon assay. SAR studies revealed that the chain length and the position of the alkyl linker largely influenced the in vitro anti-HCV activity of this class of potent antiviral agents. Among this series of compounds synthesized, the thiourea derivative with a six-carbon alkyl linker at the meta-position of the central phenyl ring (10) was identified as the most potent anti-HCV inhibitor (EC50 = 0.047 mu M) with a selectivity index of 596. (C) 2009 Elsevier Ltd. All rights reserved.