1-Benzyl-4-(4-ethenylphenyl)piperazine | 1000285-28-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-Benzyl-4-(4-ethenylphenyl)piperazine
• CAS: 1000285-28-8
• 化学式: C₁₉H₂₂N₂
• 分子量: 278.397
• InChiKey: CXWAFBCPOOCNQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Benzyl-4-(4-ethenylphenyl)piperazine 、 4-吡啶甲醛肟 在 sodium hypochlorite 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 5-[4-(4-Benzylpiperazin-1-yl)phenyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole
  参考文献：
  名称：

  Discovery of novel isoxazolines as anti-tuberculosis agents

  摘要：

  Nitrofuranyl isoxazolines with increased proteolytic stability over nitrofuranyl amides were designed and synthesized leading to discovery of several compounds with potent in vitro anti-tuberculosis activity. However, their in vivo activity was limited by high protein binding and poor distribution. Consequently, a series of non-nitrofuran containing isoxazolines were prepared to determine if the core had residual anti-tuberculosis activity. This led to the discovery of novel isoxazoline 12 as anti-tuberculosis agent with a MIC90 value of 1.56 mu g/mL. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.048
• 作为产物：
  描述：

  1-苄基哌嗪 、 对溴苯乙烯 在 二氯双(三邻甲苯膦)合钯(II) sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以79%的产率得到1-Benzyl-4-(4-ethenylphenyl)piperazine
  参考文献：
  名称：

  Discovery of novel isoxazolines as anti-tuberculosis agents

  摘要：

  Nitrofuranyl isoxazolines with increased proteolytic stability over nitrofuranyl amides were designed and synthesized leading to discovery of several compounds with potent in vitro anti-tuberculosis activity. However, their in vivo activity was limited by high protein binding and poor distribution. Consequently, a series of non-nitrofuran containing isoxazolines were prepared to determine if the core had residual anti-tuberculosis activity. This led to the discovery of novel isoxazoline 12 as anti-tuberculosis agent with a MIC90 value of 1.56 mu g/mL. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.048