5,8-dibromo-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline | 876109-05-6

• 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: 5,8-dibromo-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
• 英文别名: 5,8-Dibromo-1,2,3,4-tetrahydroisoquinoline-6,7-diol
• CAS: 876109-05-6
• 化学式: C₉H₉Br₂NO₂
• 分子量: 322.984
• InChiKey: ZXIJUSIDALZONG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  二碳酸二叔丁酯 、 5,8-dibromo-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline 在 三乙胺 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 以92%的产率得到
  参考文献：
  名称：

  Synthesis of novel tetrahydroisoquinoline bronchodilators

  摘要：

  The synthesis and bronchorelaxing effects of a series of novel tetrahydroisoquinoline amides are described. The compounds were evaluated for their ability to relax LTD4 contracted isolated human small airways ex-vivo. Several compounds demonstrated highly efficacious bronchorelaxing properties. Cinnamide 71 was selected for further studies and constitutes a promising candidate as a novel bronchorelaxing agent for the treatment of pulmonary disorders. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.057
• 作为产物：
  描述：

  3,4-二氢-1H-异喹啉-2-鎓-7,8-二醇氯化物 在 溴 、 溶剂黄146 作用下， 反应 16.0h， 以80%的产率得到5,8-dibromo-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Synthesis of novel tetrahydroisoquinoline bronchodilators

  摘要：

  The synthesis and bronchorelaxing effects of a series of novel tetrahydroisoquinoline amides are described. The compounds were evaluated for their ability to relax LTD4 contracted isolated human small airways ex-vivo. Several compounds demonstrated highly efficacious bronchorelaxing properties. Cinnamide 71 was selected for further studies and constitutes a promising candidate as a novel bronchorelaxing agent for the treatment of pulmonary disorders. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.057

文献信息

• Synthesis of novel tetrahydroisoquinoline bronchodilators
  作者：Maria F. Dalence-Guzmán、Jörgen Toftered、Viveca Thornqvist Oltner、David Wensbo、Martin H. Johansson

  DOI：10.1016/j.bmcl.2010.07.057

  日期：2010.9

  The synthesis and bronchorelaxing effects of a series of novel tetrahydroisoquinoline amides are described. The compounds were evaluated for their ability to relax LTD4 contracted isolated human small airways ex-vivo. Several compounds demonstrated highly efficacious bronchorelaxing properties. Cinnamide 71 was selected for further studies and constitutes a promising candidate as a novel bronchorelaxing agent for the treatment of pulmonary disorders. (C) 2010 Elsevier Ltd. All rights reserved.