3-(octahydro-isoquinolin-2-yl)propan-1-ol | 1078127-68-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-(octahydro-isoquinolin-2-yl)propan-1-ol
• 英文别名: 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propan-1-ol
• CAS: 1078127-68-0
• 化学式: C₁₂H₂₃NO
• mdl: MFCD12144505
• 分子量: 197.321
• InChiKey: YHTVTBOCVIBYEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(octahydro-isoquinolin-2-yl)propan-1-ol 、 1-溴-3-苯基丙烷 、 草酸 在 氢氧化钾 作用下， 以 二甲基亚砜 、 乙醚 、 乙醇 为溶剂， 反应 1.0h， 以27%的产率得到2-[3-(3-phenylpropoxy)propyl]decahydroisoquinoline hydrogen oxalate
  参考文献：
  名称：

  Piperidine variations in search for non-imidazole histamine H3 receptor ligands

  摘要：

  Synthesis and biological evaluation of the novel histamine H-3 receptor ligands is described. Two series of ethers (aliphatic and aromatic) have been prepared by four different methods. Compounds were evaluated for their affinities at recombinant human H-3 receptor stably expressed in CHO cells. The ethers show from low to moderate in vitro affiities in nanomolar concentration range. The most potent compound was the 1-[3-(4-tert-butylphenoxy)propyl]-4-piperidino-piperidine 16 (hH(3)R K-i = 100 nM). Several members of the new series investigated under in vivo conditions, proved to be inactive. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2008.07.071
• 作为产物：
  描述：

  十氢异喹啉 、 3-氯-1-丙醇 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 3-(octahydro-isoquinolin-2-yl)propan-1-ol
  参考文献：
  名称：

  Piperidine variations in search for non-imidazole histamine H3 receptor ligands

  摘要：

  Synthesis and biological evaluation of the novel histamine H-3 receptor ligands is described. Two series of ethers (aliphatic and aromatic) have been prepared by four different methods. Compounds were evaluated for their affinities at recombinant human H-3 receptor stably expressed in CHO cells. The ethers show from low to moderate in vitro affiities in nanomolar concentration range. The most potent compound was the 1-[3-(4-tert-butylphenoxy)propyl]-4-piperidino-piperidine 16 (hH(3)R K-i = 100 nM). Several members of the new series investigated under in vivo conditions, proved to be inactive. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2008.07.071