2-氯-1-(4-异丙基-1-哌嗪基)乙酮 | 185547-14-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 2-氯-1-(4-异丙基-1-哌嗪基)乙酮
• 英文名称: 2-Chloro-1-(4-isopropyl-piperazin-1-yl)-ethanone hydrochloride
• 英文别名: 2-chloro-1-(4-propan-2-ylpiperazin-1-yl)ethanone;hydrochloride
• CAS: 185547-14-2
• 化学式: C₉H₁₇ClN₂O*ClH
• 分子量: 241.161
• InChiKey: XFBZBZOAUCXUJQ-UHFFFAOYSA-N

物化性质

• 沸点：
  302.3±37.0 °C(Predicted)
• 密度：
  1.116±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  23.6
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  2-氯-1-(4-异丙基-1-哌嗪基)乙酮 在 potassium tert-butylate 、 三乙胺 作用下， 以 乙腈 、 叔丁醇 为溶剂， 反应 11.0h， 生成 [2-Oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl] 4-(naphthalen-1-ylmethoxy)benzoate
  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 、 氯乙酰氯 以 乙醚 为溶剂， 反应 0.17h， 以94%的产率得到2-氯-1-(4-异丙基-1-哌嗪基)乙酮
  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 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.