4-[6-Hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]benzonitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[6-Hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]benzonitrile
• 化学式: C₂₉H₂₆N₂O₃S
• 分子量: 482.603
• InChiKey: JJZWBJQNKAJKFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  雷洛昔芬 在 4-二甲氨基吡啶 、 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) 、 四丁基氟化铵 、 三乙胺 、 锌 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[6-Hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]benzonitrile
  参考文献：
  名称：

  Versatile raloxifene triflates

  摘要：

  Methodology has been employed that permits the differentiation of the phenols of raloxifene. Transition metal mediated transformations of raloxifene triflates have subsequently provided a number of analogs that were evaluated further in two in vitro models predictive of estrogen receptor mediated biological activity. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00130-3

文献信息

• Versatile raloxifene triflates
  作者：Michael J. Martin、Timothy A. Grese、Andrew L. Glasebrook、Ken Matsumoto、Lewis D. Pennington、D.Lynn Phillips、Lorri L. Short

  DOI：10.1016/s0960-894x(97)00130-3

  日期：1997.1

  Methodology has been employed that permits the differentiation of the phenols of raloxifene. Transition metal mediated transformations of raloxifene triflates have subsequently provided a number of analogs that were evaluated further in two in vitro models predictive of estrogen receptor mediated biological activity. (C) 1997 Elsevier Science Ltd.