1-(3-萘-2-氧基丙基)-4-苯基哌嗪 | 84344-50-3

• 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: 1-(3-萘-2-氧基丙基)-4-苯基哌嗪
• 英文名称: 1-(3-(naphthalen-2-yloxy)propyl)-4-phenylpiperazine
• 英文别名: Piperazine, 1-(3-(2-naphthalenyloxy)propyl)-4-phenyl-；1-(3-naphthalen-2-yloxypropyl)-4-phenylpiperazine
• CAS: 84344-50-3
• 化学式: C₂₃H₂₆N₂O
• 分子量: 346.472
• InChiKey: YNOWHDNGRNBDQJ-UHFFFAOYSA-N

物化性质

• 熔点：
  108-110 °C(Solv: ethanol (64-17-5))
• 沸点：
  531.7±45.0 °C(Predicted)
• 密度：
  1.119±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  15.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-萘酚 在 potassium carbonate 、 potassium iodide 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 48.0h， 生成 1-(3-萘-2-氧基丙基)-4-苯基哌嗪
  参考文献：
  名称：

  Multitargeting approaches to cognitive impairment: Synthesis of aryl-alkylpiperazines and assessment at cholinesterases, histamine H3 and dopamine D3 receptors

  摘要：

  DOI：

  10.1016/j.bmc.2022.117132

文献信息

• Agarwal, Shiv K.; Kumar, Yatendra; Saxena, Anil K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1982, vol. 21, # 5, p. 435 - 439
  作者：Agarwal, Shiv K.、Kumar, Yatendra、Saxena, Anil K.、Jain, Padam C.、Anand, Nitya

  DOI：——

  日期：——
• Design, synthesis, and systematic evaluation of 4-arylpiperazine- and 4-benzylpiperidine napthyl ethers as inhibitors of monoamine neurotransmitters reuptake
  作者：Suresh Paudel、Xiao Min、Srijan Acharya、Daulat Bikram Khadka、Goon Yoon、Kyeong-Man Kim、Seung Hoon Cheon

  DOI：10.1016/j.bmc.2018.09.033

  日期：2018.11

  Two series of 4-arylpiperazine- and 4-benzylpiperidine naphthyl ethers were designed based on structure-activity relationship (SAR) and docking model of reported monoamine neurotransmitters reuptake inhibitors. The compounds were synthesized in 3-simple steps and their biological activities were evaluated. Several compounds were proven to be potent inhibitors of serotonin and norepinephrine reuptake. Computer docking was performed to study the interaction of the most potent compound 35 with human serotonin transporter. The results of the analyses suggest that 4-arylpiperazine- and 4-benzylpiperidine naphthyl ethers might be promising anti-depressants worthy of further studies.
• AGARWAL, SHIV, K.;KUMAR, YATENDRA;SAXENA, ANIL, K.;JAIN, PADAM, C.;ANAND,+, INDIAN J. CHEM., 1982, 21, N 5, 435-439
  作者：AGARWAL, SHIV, K.、KUMAR, YATENDRA、SAXENA, ANIL, K.、JAIN, PADAM, C.、ANAND,+

  DOI：——

  日期：——
• Multitargeting approaches to cognitive impairment: Synthesis of aryl-alkylpiperazines and assessment at cholinesterases, histamine H3 and dopamine D3 receptors
  作者：Cecília M.S.Q. Aranha、David Reiner-Link、Luisa R. Leitzbach、Flavia B. Lopes、Holger Stark、João Paulo S. Fernandes

  DOI：10.1016/j.bmc.2022.117132

  日期：2023.1