1-Oxiranylmethyl-4-(4-trifluoromethyl-phenyl)-piperazine | 1026707-79-8

• 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-Oxiranylmethyl-4-(4-trifluoromethyl-phenyl)-piperazine
• 英文别名: 1-(Oxiran-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]piperazine
• CAS: 1026707-79-8
• 化学式: C₁₄H₁₇F₃N₂O
• 分子量: 286.297
• InChiKey: GSRHWXDIWKURRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  19
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  sodium cyanamide 、 1-Oxiranylmethyl-4-(4-trifluoromethyl-phenyl)-piperazine 以 甲醇 为溶剂， 反应 24.0h， 以20%的产率得到5-[4-(4-Trifluoromethyl-phenyl)-piperazin-1-ylmethyl]-4,5-dihydro-oxazol-2-ylamine
  参考文献：
  名称：

  Synthesis and antidepressant activity of 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines

  摘要：

  The synthesis of 20 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines is described. Antidepressant activity was observed in mice using classical screening tests. Structure-activity relationships were studied and correlated with the nature of the aromatic substituent. Preliminary lipophilic and electronic properties of one lead compound (COR 3224) have been described.

  DOI：

  10.1016/0223-5234(92)90177-3
• 作为产物：
  描述：

  N-(ALPHA,ALPHA,ALPHA-三氟对甲苯)哌嗪 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 39.0h， 生成 1-Oxiranylmethyl-4-(4-trifluoromethyl-phenyl)-piperazine
  参考文献：
  名称：

  Synthesis and antidepressant activity of 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines

  摘要：

  The synthesis of 20 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines is described. Antidepressant activity was observed in mice using classical screening tests. Structure-activity relationships were studied and correlated with the nature of the aromatic substituent. Preliminary lipophilic and electronic properties of one lead compound (COR 3224) have been described.

  DOI：

  10.1016/0223-5234(92)90177-3

文献信息

• 2-(4-Carbonylphenyl)benzoxazole inhibitors of CETP: Scaffold design and advancement in HDLc-raising efficacy
  作者：Ramzi F. Sweis、Julianne A. Hunt、Florida Kallashi、Milton L. Hammond、Ying Chen、Suzanne S. Eveland、Qiu Guo、Sheryl A. Hyland、Denise P. Milot、Anne-Marie Cumiskey、Melanie Latham、Raymond Rosa、Larry Peterson、Carl P. Sparrow、Samuel D. Wright、Matt S. Anderson、Peter J. Sinclair

  DOI：10.1016/j.bmcl.2010.11.090

  日期：2011.3

  The development of 2-phenylbenzoxazoles as inhibitors of cholesteryl ester transfer protein (CETP) is described. Initial efforts aimed at engineering replacements for the aniline substructures in the benchmark molecule. Reversing the connectivity of the central aniline lead to a new class of 2-(4-carbonylphenyl)benzoxazoles. Structure-activity studies at the C-7 and terminal pyridine ring allowed for the optimization of potency and HDLc-raising efficacy in this new class of inhibitors. These efforts lead to the discovery of benzoxazole 11v, which raised HDLc by 24 mg/dl in our transgenic mouse PD model. (C) 2010 Elsevier Ltd. All rights reserved.
• Synthesis and antidepressant activity of 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines
  作者：JJ Bosc、C Jarry、A Carpy、E Panconi、P Descas

  DOI：10.1016/0223-5234(92)90177-3

  日期：1992.8

  The synthesis of 20 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines is described. Antidepressant activity was observed in mice using classical screening tests. Structure-activity relationships were studied and correlated with the nature of the aromatic substituent. Preliminary lipophilic and electronic properties of one lead compound (COR 3224) have been described.