(E)-2-(4-chlorobenzylidene)-4-(2-diethylaminoethyl)-1-phenylbutan-1-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (E)-2-(4-chlorobenzylidene)-4-(2-diethylaminoethyl)-1-phenylbutan-1-one
• 英文别名: (2E)-2-[(4-chlorophenyl)methylidene]-4-(diethylamino)-1-phenylbutan-1-one
• 化学式: C₂₁H₂₄ClNO
• 分子量: 341.881
• InChiKey: DVOYNAHHSNAVTP-KNTRCKAVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  苯基环丙基甲酮 、 4-氯苯甲醛 、 二乙胺 在 二乙基碘化铝 、 potassium tert-butylate 作用下， 以 乙腈 为溶剂， 反应 17.0h， 生成 (Z)-2-(4-chlorobenzylidene)-4-(2-diethylaminoethyl)-1-phenylbutan-1-one 、 (E)-2-(4-chlorobenzylidene)-4-(2-diethylaminoethyl)-1-phenylbutan-1-one
  参考文献：
  名称：

  A Combinatorial Scaffold Approach Based upon a Multicomponent Reaction

  摘要：

  A combinatorial scaffolding procedure for the synthesis and spatial arrangement of tripartite structures was developed.

  DOI：

  10.1021/ol0343313

文献信息

• 2-Aminoethyl Substituted Pyrimidin-2-Ones Cyclopropanes, Pyrazolines, Pyrimidines and Benzothiazepines and Their Uses as Urotensin II and Somatostatin 5 Receptor Ligands
  申请人：Olsson Roger

  公开号：US20100029612A1

  公开（公告）日：2010-02-04

  The present invention provides a combinatorial approach to a library of novel compounds having four diversity points. The compounds provide for the mapping of urotensin II and somatostatin 5 receptors by differential binding of said receptors. The present invention further relates to a method of treating diseases for which modulation of the urotensin II receptor produces a physiologically beneficial response in said disease, such as those associated with CNS function and cardiovascular diseases. The present invention further relates to pharmaceutical compositions comprising these agents for the treatment of these diseases adapted to modulate the urotensin II receptor.
• A Combinatorial Scaffold Approach Based upon a Multicomponent Reaction
  作者：Fabio Bertozzi、Birgitte V. Gundersen、Magnus Gustafsson、Roger Olsson

  DOI：10.1021/ol0343313

  日期：2003.5.1

  A combinatorial scaffolding procedure for the synthesis and spatial arrangement of tripartite structures was developed.