7-(3-Piperidin-1-yl-propoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester | 464899-10-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 7-(3-Piperidin-1-yl-propoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate
• CAS: 464899-10-3
• 化学式: C₂₂H₃₄N₂O₃
• 分子量: 374.524
• InChiKey: XDIINOUYEULDHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  42
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-(3-Piperidin-1-yl-propoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 7-(3-Piperidin-1-yl-propoxy)-1,2,3,4-tetrahydro-isoquinoline; hydrochloride
  参考文献：
  名称：

  Synthesis and SAR of novel histamine H3 receptor antagonists

  摘要：

  The synthesis and biological evaluation of novel tetrahydroisoquinoline, tetrahydroquinoline, and tetrahydroazepine antagonists of the human and rat H-3 receptors are described. The substitution around these rings as well as the nature of the substituent on nitrogen is explored. Several compounds with high affinity and selectivity for the human and rat H-3 receptors are reported. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.004
• 作为产物：
  描述：

  N-(3-氯丙基)哌啶 、 7-羟基-3,4-二氢异喹啉-2(1h)-羧酸叔丁酯 在 caesium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 7-(3-Piperidin-1-yl-propoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis and SAR of novel histamine H3 receptor antagonists

  摘要：

  The synthesis and biological evaluation of novel tetrahydroisoquinoline, tetrahydroquinoline, and tetrahydroazepine antagonists of the human and rat H-3 receptors are described. The substitution around these rings as well as the nature of the substituent on nitrogen is explored. Several compounds with high affinity and selectivity for the human and rat H-3 receptors are reported. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.004

文献信息

• US7314937B2
  申请人：——

  公开号：US7314937B2

  公开（公告）日：2008-01-01