3-[4-(3-methoxy-phenyl)-piperazin-1-yl]-propan-1-ol | 67514-08-3

• 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: 3-[4-(3-methoxy-phenyl)-piperazin-1-yl]-propan-1-ol
• 英文别名: 3-[4-(3-methoxyphenyl)-piperazin-1-yl]-1-hydroxy-propane；3-(4-(3-Methoxyphenyl)piperazin-1-yl)propan-1-ol；3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-ol
• CAS: 67514-08-3
• 化学式: C₁₄H₂₂N₂O₂
• mdl: MFCD12560912
• 分子量: 250.341
• InChiKey: DGSWVEFXJNJPNK-UHFFFAOYSA-N

物化性质

• 熔点：
  94-95 °C
• 沸点：
  414.6±45.0 °C(Predicted)
• 密度：
  1.096±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  35.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲基磺酰氯 、 3-[4-(3-methoxy-phenyl)-piperazin-1-yl]-propan-1-ol 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以37%的产率得到3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl methanesulfonate
  参考文献：
  名称：

  Synthesis of a novel series of 4-arylpiperazinyl derivatives linked to a 2-(pyridin-3-yl)-1H-benzimidazole as new Delavirdine analogues

  摘要：

  The synthesis of a series of substituted arylpiperazines linked to a 2-(pyridin-3-yl)-1H-benzo[d]imidazole scaffold through an alkylic linker is reported. The novel 1-(2-(4-arylpiperazin-1-yl)alkyl)-2-(pyridin-3-yl)-1H-benzimidazole derivatives are structurally related to the anti-HIV-1 drug Delavirdine and belong to the bis(heteroaryl)piperazines family (BHAPs), a well known HIV-1 reverse transcriptase inhibitors group.

  DOI：

  10.1590/s0103-50532010000100011
• 作为产物：
  描述：

  1-(3-甲氧基苯基)哌嗪 、 3-溴-1-丙醇 在 三乙胺 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 3-[4-(3-methoxy-phenyl)-piperazin-1-yl]-propan-1-ol
  参考文献：
  名称：

  Synthesis of a novel series of 4-arylpiperazinyl derivatives linked to a 2-(pyridin-3-yl)-1H-benzimidazole as new Delavirdine analogues

  摘要：

  The synthesis of a series of substituted arylpiperazines linked to a 2-(pyridin-3-yl)-1H-benzo[d]imidazole scaffold through an alkylic linker is reported. The novel 1-(2-(4-arylpiperazin-1-yl)alkyl)-2-(pyridin-3-yl)-1H-benzimidazole derivatives are structurally related to the anti-HIV-1 drug Delavirdine and belong to the bis(heteroaryl)piperazines family (BHAPs), a well known HIV-1 reverse transcriptase inhibitors group.

  DOI：

  10.1590/s0103-50532010000100011

文献信息

• FELFOELDI, K.;MOLNAR, A.;APJOK, J.;CZOMBOS, J.;NOTHEISZ, F.;KARPATI, E., ACTA PHYS. ET CHEM. SZEGED, 1982, 28, N 3-4, 225-244
  作者：FELFOELDI, K.、MOLNAR, A.、APJOK, J.、CZOMBOS, J.、NOTHEISZ, F.、KARPATI, E.

  DOI：——

  日期：——
• US4140790A
  申请人：——

  公开号：US4140790A

  公开（公告）日：1979-02-20
• US4250310A
  申请人：——

  公开号：US4250310A

  公开（公告）日：1981-02-10
• Synthesis of a novel series of 4-arylpiperazinyl derivatives linked to a 2-(pyridin-3-yl)-1H-benzimidazole as new Delavirdine analogues
  作者：David Pessoa-Mahana、Andrés Núñez、Christian Espinosa、Jaime Mella-Raipán、Hernán Pessoa-Mahana

  DOI：10.1590/s0103-50532010000100011

  日期：——

  The synthesis of a series of substituted arylpiperazines linked to a 2-(pyridin-3-yl)-1H-benzo[d]imidazole scaffold through an alkylic linker is reported. The novel 1-(2-(4-arylpiperazin-1-yl)alkyl)-2-(pyridin-3-yl)-1H-benzimidazole derivatives are structurally related to the anti-HIV-1 drug Delavirdine and belong to the bis(heteroaryl)piperazines family (BHAPs), a well known HIV-1 reverse transcriptase inhibitors group.