3-[3-{4-(4-chlorobenzyl)piperazin-1-yl}propoxy]benzaldehyde | 1373134-00-9

• 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: 3-[3-{4-(4-chlorobenzyl)piperazin-1-yl}propoxy]benzaldehyde
• 英文别名: 3-[3-[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]propoxy]benzaldehyde；3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]benzaldehyde
• CAS: 1373134-00-9
• 化学式: C₂₁H₂₅ClN₂O₂
• 分子量: 372.895
• InChiKey: VPEBTEYLYSZXLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  间羟基苯甲醛 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 3-[3-{4-(4-chlorobenzyl)piperazin-1-yl}propoxy]benzaldehyde
  参考文献：
  名称：

  Synthesis and evaluation of meta substituted 1-(aryloxypropyl)-4-(chloroaryl) piperazines as potential atypical antipsychotics

  摘要：

  A series of 1-(aryloxypropyl)-4-(chloroaryl) piperazines have been synthesized based upon their physicochemical similarity with respect to standard atypical antipsychotic drugs and their potential to cross the blood-brain barrier (log BB) as calculated by appropriate software programmes. The target compounds were evaluated for atypical antipsychotic activity in apomorphine-induced mesh climbing and stereotypy assays in mice. The compounds 8, 9 and 10 bearing hydrogen bond acceptor substituents have emerged as important lead compounds showing higher efficacy along with potential atypical antipsychotic profile.

  DOI：

  10.1007/s00044-012-0038-6

文献信息

• Synthesis and evaluation of meta substituted 1-(aryloxypropyl)-4-(chloroaryl) piperazines as potential atypical antipsychotics
  作者：Alka Bali、A. C. Dinesh Kumar Reddy

  DOI：10.1007/s00044-012-0038-6

  日期：2013.1

  A series of 1-(aryloxypropyl)-4-(chloroaryl) piperazines have been synthesized based upon their physicochemical similarity with respect to standard atypical antipsychotic drugs and their potential to cross the blood-brain barrier (log BB) as calculated by appropriate software programmes. The target compounds were evaluated for atypical antipsychotic activity in apomorphine-induced mesh climbing and stereotypy assays in mice. The compounds 8, 9 and 10 bearing hydrogen bond acceptor substituents have emerged as important lead compounds showing higher efficacy along with potential atypical antipsychotic profile.