1-(2-吡嗪)-3-甲基-1-丁酮 | 86461-64-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2-吡嗪)-3-甲基-1-丁酮
• 英文名称: 3-methyl-1-(pyrazin-2-yl)butan-1-one
• 英文别名: 1-(2-Pyrazinyl)-3-methyl-1-butanone；2-(3-methylbutyryl)pyrazine；2-isovalerylpyrazine；1-pyrazinyl-3-methyl-1-butanone；3-methyl-1-pyrazin-2-ylbutan-1-one
• CAS: 86461-64-5
• 化学式: C₉H₁₂N₂O
• 分子量: 164.207
• InChiKey: HRVZGJWXBPJXKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-吡嗪)-3-甲基-1-丁酮 在 二苯甲酮 作用下， 以 叔丁醇 、 苯 为溶剂， 生成 2,2-二甲基-1-(吡嗪-2-基)环丙醇
  参考文献：
  名称：

  Multiple n* Triplet Reactions in the Photochemistry of Alkyl-Substituted Acylpyrazines, Ketones with Four Low-Lying Zero-Order Triplets

  摘要：

  Irradiation of 7a-c and 11a-c leads to triplet-state abstraction of hydrogen by both nitrogen and oxygen with formation of the products shown in Schemes 1 and 2. Stern-Volmer quenching studies yield indistinguishable k(q) tau's far abstraction by carbonyl oxygen and adjacent nitrogen in 11a, and also for intermolecular comparisons both of abstraction by nitrogen in 11b and 11c, and also of abstraction by oxygen in 7a and nitrogen in 7b. Reactions of 7a and 11a are sensitized by acetone, but fragmentation of 7c is not.

  DOI：

  10.1021/jo00103a045
• 作为产物：
  描述：

  3-methyl-1-(pyrazin-2-yl)butan-1-ol 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以94%的产率得到1-(2-吡嗪)-3-甲基-1-丁酮
  参考文献：
  名称：

  [EN] TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS
  [FR] INHIBITEURS DE LA PYRAZOLOPYRIDINE KINASE TRICYCLIQUE

  摘要：

  公开号：

  WO2010011772A3

文献信息

• Triplet states mediating hydrogen abstraction in 4-acylpyrimidines, 2-acylpyridines, 2-acylpyrazines, and 3-acylpyridazines
  作者：Sreedharan Prathapan、Kevin E. Robinson、William C. Agosta

  DOI：10.1021/ja00031a044

  日期：1992.2

  Irradiation of 9 leads to hydrogen abstraction by N(1) and fragmentation to 8 from a triplet with E τ ∼78 kcal/mol. Irradiation of 2-acylpyridines (10) leads to abstraction by both nitrogen and oxygen (cf. eq 4), with the same Stern-Volmer k q τ for the two processes

  9 的辐照导致 N(1) 夺氢，并从 E τ ～78 kcal/mol 的三联体裂解为 8。2-酰基吡啶 (10) 的辐照导致氮和氧的提取（参见方程 4），这两个过程具有相同的 Stern-Volmer kq τ
• ARYL DIHYDROPYRIDINONE AND PIPERIDINONE MGAT2 INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：US20130143843A1

  公开（公告）日：2013-06-06

  The present invention provides compounds of Formula (I): or a stereoisomer, or a pharmaceutically acceptable salt thereof, wherein all of the variables are as defined herein. These compounds are monoacylglycerol acyltransferase type 2 (MGAT2) inhibitors which may be used as medicaments.

  本发明提供了以下式（I）的化合物： 或其立体异构体，或其药学上可接受的盐，其中所有变量如本文所定义。这些化合物是单酰基甘油酰基转移酶2（MGAT2）抑制剂，可用作药物。
• Iron-catalyzed Minisci acylation of N-heteroarenes with α-keto acids
  作者：Xiu-Zhi Wang、Cheng-Chu Zeng

  DOI：10.1016/j.tet.2019.01.060

  日期：2019.3

  protocol has been developed for the Minisci acylation reactions of nitrogen-containing heteroarenes with α-keto acids. Distinct from the conventional Minisci acylation conditions, the chemistry was performed using non-noble metal Fe(II), instead of expensive Ag(I) salt, as catalyst. A wide range of substrates, including aliphatic or aromatic α-keto acids, as well as various N-heteroarenes, proved to

  已经开发出一种有效且温和的方案，用于含氮杂芳烃与α-酮酸的Minisci酰化反应。与常规的Minisci酰化条件不同，该化学过程是使用非贵金属Fe（II）代替昂贵的Ag（I）盐作为催化剂进行的。各种底物，包括脂族或芳族α-酮酸，以及各种N-杂芳烃，都证明与该方案兼容。放大实验也证明了该方法的实用性。
• 1-pyrazinyl-1-propanone derivatives useful as flavorants in smoking
  申请人：Philip Morris Incorporated

  公开号：US04588813A1

  公开（公告）日：1986-05-13

  This invention provides smoking compositions which contain a monoacylpyrazine compound as a flavorant additive. In one of its embodiments, this invention provides tobacco compositions which contain a monoacylpyrazine flavorant additive such as 1-pyrazinyl-2,2-dimethyl-1-propanone: ##STR1## Under cigarette smoking conditions the above illustrated monoacylpyrazine additive flavors the mainstream smoke and enriches the aroma of the sidestream smoke.

  该发明提供了含有单酰基吡嗪化合物作为香味添加剂的吸烟组合物。在其一种实施方案中，该发明提供了含有单酰基吡嗪香味添加剂的烟草组合物，例如1-吡嗪基-2,2-二甲基-1-丙酮：##STR1## 在香烟吸烟条件下，上述描绘的单酰基吡嗪添加剂为主流烟味提供了香味，并丰富了旁路烟的香气。
• QUINOLINE COMPOUNDS AND METHODS OF USE
  申请人：Gaudino John

  公开号：US20110053931A1

  公开（公告）日：2011-03-03

  Compounds of Formula (I), and stereoisomers, geometric isomers, tautomers, solvates, metabolites, salts and pharmaceutically acceptable prodrugs thereof, are useful for inhibiting receptor tyrosine kinases and for treating hyperproliferative disorders mediated thereby. Methods of using compounds of Formula (I), and stereoisomers, geometric isomers, tautomers, solvates and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  式（I）的化合物及其立体异构体、几何异构体、互变异构体、溶剂化物、代谢物、盐和药学上可接受的前药，用于抑制受体酪氨酸激酶并治疗由此介导的过度增殖性疾病。本文揭示了使用式（I）的化合物及其立体异构体、几何异构体、互变异构体、溶剂化物和药学上可接受的盐，在哺乳动物细胞中进行体外、体内和原位诊断、预防或治疗此类疾病或相关病理条件的方法。