1-Ethyl-3-acetylpyrrole | 128942-90-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-Ethyl-3-acetylpyrrole
• 英文别名: 1-(1-Ethyl-1H-pyrrol-3-yl)ethanone；1-(1-ethylpyrrol-3-yl)ethanone
• CAS: 128942-90-5
• 化学式: C₈H₁₁NO
• 分子量: 137.181
• InChiKey: NDOWBYCXJGDKTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  2
• 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：

  1-Ethyl-3-acetylpyrrole 在 N,N,N-trimethylbenzenemethanaminium dichloroiodate 作用下， 以 四氢呋喃 为溶剂， 以81%的产率得到2-氯-1-(1-乙基-1H-吡咯-3-基)乙酮
  参考文献：
  名称：

  Croce, Piero Dalla; Ferraccioli, Rafaella; Ritieni, Alberto, Synthesis, 1990, # 3, p. 212 - 213

  摘要：

  DOI：
• 作为产物：
  描述：

  3-乙酰基吡咯 、 溴乙烷 在 四丁基溴化铵 、 potassium carbonate 作用下， 以 丁酮 为溶剂， 反应 12.0h， 以81%的产率得到1-Ethyl-3-acetylpyrrole
  参考文献：
  名称：

  Croce, Piero Dalla; Ferraccioli, Rafaella; Ritieni, Alberto, Synthesis, 1990, # 3, p. 212 - 213

  摘要：

  DOI：

文献信息

• Palladium-Catalysed Regioselective Sequential C-5 and C-2 Direct Arylations of 3-Acetylpyrroles with Aryl Bromides
  作者：Yijing Xu、Liqin Zhao、Yiqun Li、Henri Doucet

  DOI：10.1002/adsc.201300123

  日期：2013.5.3

  to be effective for the direct regioselective C‐5 arylation of 3‐acetylpyrroles with ortho‐substituted aryl bromides. This procedure has been found to be tolerant to a variety of functional groups at C‐2 of the aryl bromide such as methyl, formyl, nitrile, nitro, hydroxymethyl, chloro, fluoro or trifluoromethyl. The sequential direct C‐5 arylation followed by C‐2 arylation of such 3‐substituted pyrroles

  发现PdCl（C 3 H 5）（dppb）/ KOAc系统对于3-乙酰基吡咯与邻位取代的芳基溴化物的直接区域选择性C-5芳基化有效。已发现此方法可耐受芳基溴化物C-2上的各种官能团，例如甲基，甲酰基，腈，硝基，羟甲基，氯，氟或三氟甲基。依次直接进行C-5芳基化，然后再进行此类3-取代吡咯的C-2芳基化，可以高产率地合成2,5-二芳基-3-乙酰基吡咯。
• Thiazole derivatives
  申请人：Nakajima Takao

  公开号：US20070105919A1

  公开（公告）日：2007-05-10

  (Wherein n is an integer of from 0 to 3; R 1 is substituted or unsubstituted cycloalkyl, substituted or unsubstituted aryl, a substituted or unsubstituted alicyclic heterocyclic group, or a substituted or unsubstituted aromatic heterocyclic group; R 2 is halogen, substituted or unsubstituted lower alkyl, substituted or unsubstituted aryl, a substituted or unsubstituted alicyclic heterocyclic group, a substituted or unsubstituted aromatic heterocyclic group, —COR 8 , or the like; R 3 and R 4 may be the same or different, and each represents a hydrogen atom, substituted or unsubstituted lower alkyl, substituted or unsubstituted aralkyl, —COR 12 , or the like) For example, provided are adenosine A 2A receptor antagonists comprising, as the active ingredient, a thiazole derivative represented by a general formula (I), or a pharmaceutically acceptable salt thereof, and the like.

  其中n为0至3的整数；R1代表取代或未取代的环烷基、取代或未取代的芳基、取代或未取代的脂环杂环基或取代或未取代的芳香杂环基；R2代表卤素、取代或未取代的低碳基、取代或未取代的芳基、取代或未取代的脂环杂环基、取代或未取代的芳香杂环基、-COR8或类似物；R3和R4可以相同也可以不同，每个代表氢原子、取代或未取代的低碳基、取代或未取代的芳基烷基、-COR12或类似物。例如，提供了包含噻唑衍生物的腺苷A2A受体拮抗剂作为活性成分，其表示为通式（I）或其药学上可接受的盐等。
• THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER
  申请人：Uesaka Noriaki

  公开号：US20100152162A1

  公开（公告）日：2010-06-17

  It is intended to provide an agent for treating and/or preventing sleep disorder containing as an active ingredient a thiazole derivative represented by the general formula (I) (in the formula, R 1 represents a five-membered aromatic heterocyclic group containing at least one oxygen atom or the like, R 2 represents halogen or the like, and R 3 represents —NR 10 R 11 (in the formula, R 10 and R 11 are the same or different and represent a hydrogen atom or the like) or the like) or a pharmacologically acceptable salt thereof.

  该发明旨在提供一种治疗和/或预防睡眠障碍的药剂，其活性成分为一种由通式（I）表示的噻唑衍生物（在公式中，R1表示至少含有一个氧原子的五元芳香杂环基团或类似基团，R2表示卤素或类似基团，R3表示-NR10R11（在公式中，R10和R11相同或不同，表示氢原子或类似基团）或类似基团）或其药理学上可接受的盐。
• THIAZOLE DERIVATIVES
  申请人：Nakajima Takao

  公开号：US20100256361A1

  公开（公告）日：2010-10-07

  (Wherein n is an integer of from 0 to 3; R 1 is substituted or unsubstituted cycloalkyl, substituted or unsubstituted aryl, a substituted or unsubstituted alicyclic heterocyclic group, or a substituted or unsubstituted aromatic heterocyclic group; R 2 is halogen, substituted or unsubstituted lower alkyl, substituted or unsubstituted aryl, a substituted or unsubstituted alicyclic heterocyclic group, a substituted or unsubstituted aromatic heterocyclic group, —COR 8 , or the like; R 3 and R 4 may be the same or different, and each represents a hydrogen atom, substituted or unsubstituted lower alkyl, substituted or unsubstituted aralkyl, —COR 12 , or the like) For example, provided are adenosine A 2A receptor antagonists comprising, as the active ingredient, a thiazole derivative represented by a general formula (I), or a pharmaceutically acceptable salt thereof, and the like.

  其中n是0至3的整数；R1是取代或未取代的环烷基、取代或未取代的芳基、取代或未取代的脂环杂环基或取代或未取代的芳香杂环基；R2是卤素、取代或未取代的低碳基、取代或未取代的芳基、取代或未取代的脂环杂环基、取代或未取代的芳香杂环基、-COR8等；R3和R4可以相同也可以不同，每个代表氢原子、取代或未取代的低碳基、取代或未取代的芳基、取代或未取代的芳基烷基、-COR12等。例如，提供了含有噻唑衍生物的腺苷A2A受体拮抗剂，作为活性成分，其表示为通式（I）或其药学上可接受的盐等。
• THIAZOLE DERIVATIVE
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：EP1700856B1

  公开（公告）日：2015-11-11