1-(1,4-Dimethyl-1H-pyrrol-3-yl)ethan-1-one | 1368005-68-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(1,4-Dimethyl-1H-pyrrol-3-yl)ethan-1-one
• 英文别名: 1-(1,4-dimethylpyrrol-3-yl)ethanone
• CAS: 1368005-68-8
• 化学式: C₈H₁₁NO
• 分子量: 137.181
• InChiKey: NDDKYDXNSBLCFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  丙烯酸丁酯 、 1-(1,4-Dimethyl-1H-pyrrol-3-yl)ethan-1-one 在 silver(I) acetate 、 palladium diacetate 作用下， 以 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 (E)-butyl 3-(3-acetyl-1,4-dimethyl-1H-pyrrol-2-yl)acrylate 、 (E)-butyl 3-(4-acetyl-1,3-dimethyl-1H-pyrrol-2-yl)acrylate
  参考文献：
  名称：

  吡咯的溶剂控制的C2 / C5区域发散性烯基化

  摘要：

  已开发出一种由溶剂控制的3,4-二取代吡咯的C2 / C5选择性烯基化。吡咯的C 3取代基被证明对区域选择性至关重要。在甲苯或1,4-二恶烷中，在螯合辅助的CH活化中，在C3位置带有导向基团的底物表现出出色的C2选择性。但是，DMSO / DMF溶剂系统可以取代弱方向性基团（如羧酸根和羰基）的螯合作用，从而有利于对电子含量更高的C5位置的区域选择性。测试了一系列3-羧酸盐和3-羰基吡咯，显示出中等至良好的收率，对C2-和C5-烯基化过程均具有良好的区域选择性。

  DOI：

  10.1002/chem.201502418

文献信息

• Treatments for the control of schistosomiasis
  申请人：Williams David L.

  公开号：US20090149515A1

  公开（公告）日：2009-06-11

  A method for controlling schistosome parasites in a mammal comprising delivering an effective amount of an agent for silencing TGR activity in the parasites.
• AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS
  申请人：RaQualia Pharma Inc.

  公开号：US20170002016A1

  公开（公告）日：2017-01-05

  The present invention relates to azaspiro derivatives of the formula (I) or a pharmaceutically acceptable salt thereof or a prodrug thereof, processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of various disorders which are mediated via the TRPM8 receptor.
• [EN] QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN TREATING CANCER<br/>[FR] COMPOSÉS QUINOLINE-3-CARBOXAMIDE ET LEUR UTILISATION POUR TRAITER LE CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2017162611A1

  公开（公告）日：2017-09-28

  This specification generally relates to compounds of Formula (I): (I) and pharmaceutically acceptable salts thereof, where R1, R2, R3, R4 and R5 have any of the meanings defined herein. The specification also relates to the use of such compounds and salts thereof to treat or prevent ATM kinase mediated disease, including cancer. The specification further relates to crystalline forms of compounds of Formula (I) and pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds and salts thereof; kits comprising such compounds and salts thereof; methods of manufacture of such compounds and salts thereof; intermediates useful in the manufacture of such compounds and salts thereof; and to methods of treating ATM kinase mediated disease, including cancer, using such compounds and salts thereof alone or in combination with other therapies.