5-nitro-2-n-propylphenol | 876314-60-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-nitro-2-n-propylphenol
• 英文别名: 5-Nitro-2-propylphenol；5-nitro-2-propylphenol
• CAS: 876314-60-2
• 化学式: C₉H₁₁NO₃
• 分子量: 181.191
• InChiKey: CRKNHPKXSVDULY-UHFFFAOYSA-N

物化性质

• 沸点：
  313.0±30.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-nitro-2-n-propylphenol 在 platinum(IV) oxide 氢气 作用下， 生成 5-氨基-2-丙基苯酚
  参考文献：
  名称：

  Optimization of diarylamines as non-nucleoside inhibitors of HIV-1 reverse transcriptase

  摘要：

  Following computational analyses, potential non-nucleoside inhibitors of HIV-1 reverse transcriptase have been pursued through synthesis and assaying for anti-viral activity. The general class Het-NH-Ph-U has been considered, where Het is an aromatic heterocycle and U is an unsaturated, hydrophobic group. Results for compounds with Het = 2-thiazoyl and 2-pyrimidinyl are the focus of this report. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.037
• 作为产物：
  描述：

  5-硝基-2-丙基苯胺 在 sodium nitrite 、 水 作用下， 生成 5-nitro-2-n-propylphenol
  参考文献：
  名称：

  Optimization of diarylamines as non-nucleoside inhibitors of HIV-1 reverse transcriptase

  摘要：

  Following computational analyses, potential non-nucleoside inhibitors of HIV-1 reverse transcriptase have been pursued through synthesis and assaying for anti-viral activity. The general class Het-NH-Ph-U has been considered, where Het is an aromatic heterocycle and U is an unsaturated, hydrophobic group. Results for compounds with Het = 2-thiazoyl and 2-pyrimidinyl are the focus of this report. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.037

文献信息

• Optimization of diarylamines as non-nucleoside inhibitors of HIV-1 reverse transcriptase
  作者：Juliana Ruiz-Caro、Aravind Basavapathruni、Joseph T. Kim、Christopher M. Bailey、Ligong Wang、Karen S. Anderson、Andrew D. Hamilton、William L. Jorgensen

  DOI：10.1016/j.bmcl.2005.10.037

  日期：2006.2

  Following computational analyses, potential non-nucleoside inhibitors of HIV-1 reverse transcriptase have been pursued through synthesis and assaying for anti-viral activity. The general class Het-NH-Ph-U has been considered, where Het is an aromatic heterocycle and U is an unsaturated, hydrophobic group. Results for compounds with Het = 2-thiazoyl and 2-pyrimidinyl are the focus of this report. (c) 2005 Elsevier Ltd. All rights reserved.