(E)-ethyl 3-(1-phenyl-1H-imidazol-2-yl)acrylate | 1428368-15-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (E)-ethyl 3-(1-phenyl-1H-imidazol-2-yl)acrylate
• 英文别名: (E)-Ethyl 3-(1-phenyl-1H-imidazol-2-yl)acrylate；ethyl (E)-3-(1-phenylimidazol-2-yl)prop-2-enoate
• CAS: 1428368-15-3
• 化学式: C₁₄H₁₄N₂O₂
• 分子量: 242.277
• InChiKey: VWHSFZRSKFBVDI-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-ethyl 3-(1-phenyl-1H-imidazol-2-yl)acrylate 、 二苯基乙炔 在 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 copper(II) acetate monohydrate 作用下， 以 甲苯 为溶剂， 反应 36.0h， 以45%的产率得到(E)-ethyl 3-(4,5-diphenylimidazo[1,5-a]quinolin-1-yl)acrylate
  参考文献：
  名称：

  Rhodium(III)-Catalyzed Direct Selective C(5)–H Oxidative Annulations of 2-Substituted Imidazoles and Alkynes by Double C–H Activation

  摘要：

  Double C-H activations of C(5)-H and Csp(2)-H of 2-substituted N-vinyl- or arylimidazoles were realized without heteroatom-directing assistance by rhodium(III) catalyst. A subsequent oxidative annulation reaction with alkynes efficiently produced aza-fused heterocycles with high molecular complexity in low to excellent yields.

  DOI：

  10.1021/ol400537b

文献信息

• Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof
  申请人：KARYOPHARM THERAPEUTICS INC.

  公开号：US20160221994A1

  公开（公告）日：2016-08-04

  The invention generally relates to substituted 2,3-dihydrobenzofuranyl compounds, and more particularly to a compound represented by Structural Formula (I), or a pharmaceutically acceptable salt thereof, wherein the variables are as defined and described herein. The invention also includes the synthesis and use of a compound of Structural Formula (I), or a pharmaceutically acceptable salt or composition thereof, e.g., in the treatment of cancer (e.g., mantle cell lymphoma), and other diseases and disorders.

  本发明通常涉及取代的2,3-二氢苯并呋喃基化合物，更具体地涉及由结构式（I）表示的化合物，或其药学上可接受的盐，在此变量的定义和描述中。本发明还包括合成和使用结构式（I）的化合物，或其药学上可接受的盐或组合物，例如在治疗癌症（例如曼托细胞淋巴瘤）和其他疾病和障碍中。
• US9938258B2
  申请人：——

  公开号：US9938258B2

  公开（公告）日：2018-04-10
• [EN] SUBSTITUTED 2,3-DIHYDROBENZOFURANYL COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS 2,3-DIHYDROBENZOFURANYLE SUBSTITUÉS ET LEURS UTILISATIONS
  申请人：KARYOPHARM THERAPEUTICS INC

  公开号：WO2014085607A1

  公开（公告）日：2014-06-05

  The invention generally relates to substituted 2,3-dihydrobenzofuranyl compounds, and more particularly to a compound represented by Structural Formula (I), or a pharmaceutically acceptable salt thereof, wherein the variables are as defined and described herein. The invention also includes the synthesis and use of a compound of Structural Formula (I), or a pharmaceutically acceptable salt or composition thereof, e.g., in the treatment of cancer (e.g., mantle cell lymphoma), and other diseases and disorders.