ethyl 2-(3-bromobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate | 1380547-76-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: ethyl 2-(3-bromobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
• CAS: 1380547-76-1
• 化学式: C₁₉H₁₈BrNO₃
• 分子量: 388.261
• InChiKey: AXEJMSSKINGCRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-溴苯甲酰氯 、 1,2,3,4-四氢异喹啉-3-羧酸乙酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 ethyl 2-(3-bromobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
  参考文献：
  名称：

  Synthesis and SAR of tetrahydroisoquinolines as Rev-erbα agonists

  摘要：

  The design and synthesis of a novel series of Rev-erb alpha agonists is described. The development and optimization of the tetrahydroisoquinoline series was carried out from an earlier acyclic series of Rev-erb alpha agonists. Through the optimization of the scaffold 1, several potent compounds with good in vivo profiles were discovered. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.023

文献信息

• Synthesis and SAR of tetrahydroisoquinolines as Rev-erbα agonists
  作者：Romain Noel、Xinyi Song、Youseung Shin、Subhashis Banerjee、Douglas Kojetin、Li Lin、Claudia H. Ruiz、Michael D. Cameron、Thomas P. Burris、Theodore M. Kamenecka

  DOI：10.1016/j.bmcl.2012.04.023

  日期：2012.6

  The design and synthesis of a novel series of Rev-erb alpha agonists is described. The development and optimization of the tetrahydroisoquinoline series was carried out from an earlier acyclic series of Rev-erb alpha agonists. Through the optimization of the scaffold 1, several potent compounds with good in vivo profiles were discovered. (C) 2012 Elsevier Ltd. All rights reserved.