4-[2-[4-[5,6-Dimethoxy-2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]morpholine | 1314775-52-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: 4-[2-[4-[5,6-Dimethoxy-2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]morpholine
• CAS: 1314775-52-4
• 化学式: C₂₉H₃₁NO₅S
• 分子量: 505.635
• InChiKey: MFUANMKFOSVLLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  77.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-[2-[4-[5,6-Dimethoxy-2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]morpholine 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 以17%的产率得到
  参考文献：
  名称：

  Parallel Synthesis of a Desketoraloxifene Analogue Library via Iodocyclization/Palladium-Catalyzed Coupling

  摘要：

  For a future structure-activity relationship (SAR) study, a library of desketoraloxifene analogues has been prepared by parallel synthesis using iodocyclization and subsequent palladium-catalyzed coupling reactions. Points of desketoraloxifene diversification involve the two phenolic hydroxyl groups and the aliphatic amine side chain. This approach affords oxygen bearing 3-iodobenzo[b]thiophenes 4 in excellent yields, which are easily further elaborated using a two-step approach involving Suzuki-Miyaura and Mitsunobu coupling reactions to give multimethoxy-substituted desketoraloxifene analogues 6. Various hydroxyl-substituted desketoraloxifene analogues 7 were subsequently generated by demethylation with BBr(3).

  DOI：

  10.1021/co200090p