1-(1-甲基-4H-吡啶-3-基)乙酮 | 60397-05-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 1-(1-甲基-4H-吡啶-3-基)乙酮
• 英文名称: 1-Methyl-3-acetyl-1,4-dihydro-pyridin
• 英文别名: 1-(1-methyl-4H-pyridin-3-yl)ethanone
• CAS: 60397-05-9
• 化学式: C₈H₁₁NO
• 分子量: 137.181
• InChiKey: SMISHIGKGHPDDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 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：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(1-甲基-4H-吡啶-3-基)乙酮 、 tetrabutylammonium p-toluenesulfinate 在 碘 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以74%的产率得到Methyl 1-methyl-5-tosyl-1,4-dihydro-3-pyridyl ketone
  参考文献：
  名称：

  Introduction of Heteroatom-Based Substituents into 1,4-Dihydropyridines by Means of a Halogen-Mediated, Oxidative Protocol: Diamination, Sulfonylation, Sulfinylation, Bis-Sulfanylation, and Halo-Phosphonylation Processes

  摘要：

  The natural tendency of 1,4-dihydropyridines to undergo "biomimetic" oxidation to afford pyridinium salts can be switched off and, through the use of reagents that interact electrophilically with the enamine moiety present in the heterocyclic system, it is possible to promote alternative oxidations. In this way, efficient regio- and stereocontrolled synthetic methods have been developed that lead to diversely substituted di- and tetrahydropyridines. These include iodoazidation, diamination, bis-sulfonamidation, sulfonylation, sulfinylation, thiocyanation, sulfanylation, bis-sulfanylation, and halo-phosphonylation processes.

  DOI：

  10.1002/(sici)1521-3765(20000515)6:10<1763::aid-chem1763>3.0.co;2-r
• 作为产物：
  描述：

  3-acetyl-1-methylpyridinium iodide 以20%的产率得到
  参考文献：
  名称：

  BARTON, D. H. R.;FEKIH, ABDELWAHEB;LUSINCHI, XAVIER, TETRAHEDRON LETT., 1985, 26, N 31, 3693-3696

  摘要：

  DOI：

文献信息

• COMPOUNDS FOR REACTIVATION OF ACETYLCHOLINESTERASE AND RELATED COMPOSITIONS METHODS AND SYSTEMS
  申请人：LAWRENCE LIVERMORE NATIONAL SECURITY, LLC

  公开号：US20170335415A1

  公开（公告）日：2017-11-23

  Described herein are oxime compounds capable of inactivating a nerve agent, blood brain barrier (BBB)-penetration, and/or reactivation of nerve agent-inhibited acetylcholinesterase (AChE) and related methods, systems and compositions for inactivation of one or more nerve agents, therapeutic and/or prophylactic treatment of an individual, and/or decomposition of nerve agent for decontamination.

  本文描述了能够灭活神经毒剂、穿透血脑屏障（BBB）、重新激活被神经毒剂抑制的乙酰胆碱酯酶（AChE）的肟化合物，以及用于灭活一个或多个神经毒剂、治疗和/或预防个体的方法、系统和组合物，以及用于对神经毒剂进行脱污的方法。
• Multifunctional Compounds and Methods of Use Thereof
  申请人：Kador Peter F.

  公开号：US20090105269A1

  公开（公告）日：2009-04-23

  Compositions comprising multifunctional agents and methods of use thereof are provided.

  提供了包含多功能剂的组合物和使用方法。
• COMPOUNDS FOR CENTRAL REACTIVATION OF ORGANOPHOSPHORUS- BASED COMPOUND-INHIBITED ACETYLCHOLINESTERASE AND/OR INACTIVATION OF ORGANOPHOSPHORUS-BASED ACETYLCHOLINESTERASE INHIBITORS AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR MAKING AND USING THEM
  申请人：LAWRENCE LIVERMORE NATIONAL SECURITY, LLC

  公开号：US20190152920A1

  公开（公告）日：2019-05-23

  Described herein are oxime compounds capable of inactivating OP-based AChE inhibitors, crossing the blood brain barrier (BBB), and/or reactivation of OP-inhibited acetylcholinesterase (AChE) and related methods, systems and compositions for inactivation of one or more OP-based AChE inhibitors, therapeutic and/or prophylactic treatment of an individual, and/or decomposition of OP-based AChE inhibitors for decontamination.

  本文描述了一种肟类化合物，能够失活OP类AChE抑制剂，穿过血脑屏障（BBB），重新激活OP抑制的乙酰胆碱酯酶（AChE）以及相关方法、系统和组合物，用于失活一个或多个OP类AChE抑制剂，治疗和/或预防个体，以及分解OP类AChE抑制剂以进行去污。
• Orally Active Purine-Based Inhibitors of Heat Shock Protein 90
  申请人：Kasibhatla R. Srinivas

  公开号：US20070129334A1

  公开（公告）日：2007-06-07

  Novel purine compounds and tautomers and pharmaceutically acceptable salts thereof are described, as are pharmaceutical compositions comprising the same, complexes comprising the same, e.g., HSP90 complexes, and methods of using the same. Methods of using the novel purine compounds of the invention, and tautomers and pharmaceutically acceptable salts thereof, include their use in inhibiting heat shock protein 90's (HSP90's) to thereby treat or prevent HSP90-dependent diseases, e.g., proliferative disorders such as breast cancer.

  本发明描述了新型嘌呤化合物及其互变异构体和药学上可接受的盐，以及包含它们的制药组合物、包含它们的复合物（例如HSP90复合物）和使用它们的方法。使用本发明的新型嘌呤化合物、互变异构体和药学上可接受的盐的方法包括在抑制热休克蛋白90（HSP90）中使用它们，从而治疗或预防HSP90依赖性疾病，例如增生性疾病如乳腺癌。
• Selective reduction of imonium salts by sodium hydrogen telluride
  作者：Derek H.R. Barton、Abdelwaheb Fekih、Xavier Lusinchi

  DOI：10.1016/s0040-4039(00)89225-4

  日期：1985.1