[2-Oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl] 4-hydroxybenzoate | 183591-66-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2-Oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl] 4-hydroxybenzoate
• CAS: 183591-66-4
• 化学式: C₁₆H₂₂N₂O₄
• 分子量: 306.362
• InChiKey: LDAKVXTULFDXOQ-UHFFFAOYSA-N

物化性质

• 沸点：
  506.4±50.0 °C(Predicted)
• 密度：
  1.212±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-萘乙酸 、 [2-Oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl] 4-hydroxybenzoate 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 [2-Oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl] 4-(2-naphthalen-1-ylacetyl)oxybenzoate
  参考文献：
  名称：

  Synthesis of 1-(4-acyloxybenzoyloxyacetyl)-4-alkylpiperazines and 1-(4-acyloxybenzoyl)-4-alkylpiperazines as inhibitors of chymotrypsin

  摘要：

  Sixteen new esters and amides of 4-acyloxybenzoic acids were prepared and screened as chymotrypsin inhibitors. Inhibiting activities on chymotrypsin differed markedly (> 100-0.008 mu M). Compounds which contained the 4-benzoyloxyacetyl moiety showed considerably higher activity then 4-acyloxybenzamides. Compounds 1c and 11f are also weak trypsin inhibitors.

  DOI：

  10.1016/0223-5234(96)85875-2
• 作为产物：
  描述：

  1-异丙基哌嗪 在 三乙胺 作用下， 以 乙醚 、 乙腈 为溶剂， 反应 5.17h， 生成 [2-Oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl] 4-hydroxybenzoate
  参考文献：
  名称：

  Synthesis of 1-(4-acyloxybenzoyloxyacetyl)-4-alkylpiperazines and 1-(4-acyloxybenzoyl)-4-alkylpiperazines as inhibitors of chymotrypsin

  摘要：

  Sixteen new esters and amides of 4-acyloxybenzoic acids were prepared and screened as chymotrypsin inhibitors. Inhibiting activities on chymotrypsin differed markedly (> 100-0.008 mu M). Compounds which contained the 4-benzoyloxyacetyl moiety showed considerably higher activity then 4-acyloxybenzamides. Compounds 1c and 11f are also weak trypsin inhibitors.

  DOI：

  10.1016/0223-5234(96)85875-2

文献信息

• Synthesis of 4-(4-guanidinobenzoyloxy)benzamides and 1-(4-guanidinobenzoyloxy)benzoyloxy acetamides as trypsin inhibitors
  作者：P Zlatoidský、T Maliar

  DOI：10.1016/s0223-5234(97)89852-2

  日期：1996.1

  Seventeen new compounds of 4-(4-guanidinobenzoyloxy)benzamides and 4-(4-guanidinobenzoyloxy)benzoyloxyacetamides were prepared and their inhibitory activities on trypsin, thrombin and porcine pancreatic elastase were measured. These compounds were found to be selective trypsin inhibitors with inhibiting activities from 0.44 to 43 mu M.
• Synthesis of 1-(4-acyloxybenzoyloxyacetyl)-4-alkylpiperazines and 1-(4-acyloxybenzoyl)-4-alkylpiperazines as inhibitors of chymotrypsin
  作者：P Zlatoidský、T Maliar

  DOI：10.1016/0223-5234(96)85875-2

  日期：1996.1

  Sixteen new esters and amides of 4-acyloxybenzoic acids were prepared and screened as chymotrypsin inhibitors. Inhibiting activities on chymotrypsin differed markedly (> 100-0.008 mu M). Compounds which contained the 4-benzoyloxyacetyl moiety showed considerably higher activity then 4-acyloxybenzamides. Compounds 1c and 11f are also weak trypsin inhibitors.