4-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propoxy)benzene-1,2-diamine | 958264-69-2

• 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: 4-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propoxy)benzene-1,2-diamine
• CAS: 958264-69-2
• 化学式: C₂₀H₂₅F₃N₄O
• 分子量: 394.44
• InChiKey: BFOMEFCZYNHXQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.46
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  67.75
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  甲酸 、 4-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propoxy)benzene-1,2-diamine 在 盐酸 作用下， 以88%的产率得到6-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]-1H-benzimidazole
  参考文献：
  名称：

  Two new phenylpiperazines with atypical antipsychotic potential

  摘要：

  Two new series of substituted arylpiperazines with heterocyclic 3-propoxy-benzimidazole or 3-propoxy-benzimidazole-2-thione groups were synthesized and their in vitro binding affinities for the D,, 5-HT1A, 5-HT2A, and alpha-adrenergic receptors determined. Among them, only two compounds with phenyl aryl-constituent (8a and 9a) showed 5-HT2A/D-2 pK(i) binding ratios proposed for atypical neuroleptics. As to their behavioral screening on rodents, both compounds exhibited a non-cataleptic action in rats and antagonized D-amphetamine-induced hyperlocomotion in mice, suggesting their possible atypical antipsychotic potency. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.08.066
• 作为产物：
  描述：

  2-nitro-4-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propoxy)aniline 在 RaNi 肼 作用下， 生成 4-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propoxy)benzene-1,2-diamine
  参考文献：
  名称：

  Two new phenylpiperazines with atypical antipsychotic potential

  摘要：

  Two new series of substituted arylpiperazines with heterocyclic 3-propoxy-benzimidazole or 3-propoxy-benzimidazole-2-thione groups were synthesized and their in vitro binding affinities for the D,, 5-HT1A, 5-HT2A, and alpha-adrenergic receptors determined. Among them, only two compounds with phenyl aryl-constituent (8a and 9a) showed 5-HT2A/D-2 pK(i) binding ratios proposed for atypical neuroleptics. As to their behavioral screening on rodents, both compounds exhibited a non-cataleptic action in rats and antagonized D-amphetamine-induced hyperlocomotion in mice, suggesting their possible atypical antipsychotic potency. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.08.066