2-丁酰基吡嗪 | 61892-81-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-丁酰基吡嗪
• 英文名称: 1-(pyrazin-2-yl)butan-1-one
• 英文别名: 1-pyrazin-2-ylbutan-1-one
• CAS: 61892-81-7
• 化学式: C₈H₁₀N₂O
• 分子量: 150.18
• InChiKey: JYMZPEKUDHEXFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-丁酰基吡嗪 以 叔丁醇 、 苯 为溶剂， 反应 4.0h， 以1%的产率得到2-乙酰基吡嗪
  参考文献：
  名称：

  三重态介导 4-酰基嘧啶、2-酰基吡啶、2-酰基吡嗪和 3-酰基哒嗪中的夺氢

  摘要：

  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

  DOI：

  10.1021/ja00031a044
• 作为产物：
  描述：

  2-氰基吡嗪 、 丙基氯化镁 以 甲醇 、 乙醚 、 水 为溶剂， 以8%的产率得到2-丁酰基吡嗪
  参考文献：
  名称：

  Site‐Selective Pd‐Catalyzed C(sp ³ )−H Arylation of Heteroaromatic Ketones

  摘要：

  AbstractA ligand‐controlled site‐selective C(sp3)−H arylation of heteroaromatic ketones has been developed using Pd catalysis. The reaction occurred selectively at the α‐ or β‐position of the ketone side‐chain. The switch from α‐ to β‐arylation was realized by addition of a pyridone ligand. The α‐arylation process showed broad scope and high site‐ and chemoselectivity, whereas the β‐arylation was more limited. Mechanistic investigations suggested that α‐arylation occurs through C−H activation/oxidative addition/reductive elimination whereas β‐arylation involves desaturation and aryl insertion.

  DOI：

  10.1002/chem.202103467

文献信息

• 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。
• SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES
  申请人：Cox Jason M.

  公开号：US20120149683A1

  公开（公告）日：2012-06-14

  The present invention is directed to novel substituted aminopiperidines of structural formula I which are inhibitors of the dipeptidyl peptidase-IV enzyme and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-ÏV enzyme is involved, such as diabetes and particularly Type 2 diabetes. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the dipeptidyl peptidase-IV enzyme is involved.

  本发明涉及结构式I的新型取代氨基哌啶化合物，它们是二肽基肽酶-IV酶的抑制剂，并且在治疗或预防二肽基肽酶-IV酶参与的疾病，如糖尿病和特别是2型糖尿病方面具有用途。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗二肽基肽酶-IV酶参与的这些疾病方面使用这些化合物和组合物。
• IMAGING TUBERCULOSIS WITH PYRAZINAMIDE CONTRAST AGENTS
  申请人：Kuniyil Kulangara Vijaya Raj

  公开号：US20130149249A1

  公开（公告）日：2013-06-13

  The present invention provides novel in vivo imaging agents useful for detecting the presence of mycobacteria using in vivo imaging methods. Also provided by the present invention is a precursor compound useful in the synthesis of the in vivo imaging agents of the invention, and a method to obtain the in vivo imaging agent of the invention using said precursor compound. Methods of in vivo imaging and diagnosis in which the in vivo imaging agent of the invention finds use are also provided.

  本发明提供了一种新型的体内成像剂，可用于使用体内成像方法检测结核分枝杆菌的存在。本发明还提供了一种前体化合物，用于合成本发明的体内成像剂，以及使用该前体化合物获得本发明的体内成像剂的方法。本发明还提供了使用本发明的体内成像剂进行体内成像和诊断的方法。
• Production of monoacylpyrazines
  申请人：PHILIP MORRIS INCORPORATED

  公开号：EP0076085A1

  公开（公告）日：1983-04-06

  This invention provides a process for preparing monoacylpyrazines which involves coreacting an aldehyde (R-CHO) and a pyrazine compound corresponding to the formula: where R1, R2 and R3 are substituents selected from hydrogen and alkyl groups, and R1 and R when taken together with connecting elements may form an alicyclic or aromatic structure, and R in the aldehyde compound is selected from aliphatic, alicyclic and aromatic groups under free radical conditions in a heterogeneous reaction medium consisting of an organic phase and an aqueous phase. The compounds prepared have the formula: where R, R', R2 and R3 are as previously defined, which is then recovered.

  本发明提供了一种制备单酰基吡嗪的工艺，该工艺包括在由有机相和水相组成的异相反应介质中，在自由基条件下，将醛（R-CHO）和式中所对应的吡嗪化合物进行共反应： 式中 R1、R2 和 R3 是选自氢和烷基的取代基，R1 和 R 与连接元素结合在一起时可形成脂环族或芳香族结构，醛化合物中的 R 选自脂肪族、脂环族和芳香族基团。 所制备的化合物具有式： 式中 R、R'、R2 和 R3 如前定义，然后将其回收。
• Smoking compositions containing a novel monoacylpyrazine flavorant
  申请人：Philip Morris Products Inc.

  公开号：EP0119718A1

  公开（公告）日：1984-09-26

  This invention provides novel monoacylpyrazine compounds having flavorant properties and smoking compositions which contain such compound as additives. In one of its embodiments, the monoacylpyrazine flavorant is 1-pyrazinyl-2,2-dimethyl-1-propanone: Under cigarette smoking conditions the above illustrated monoacylpyrazine additive flavors the mainstream smoke and enriches the aroma of the sidestream smoke.

  本发明提供了具有调味特性的新型单酰基吡嗪化合物，以及含有这种化合物作为添加剂的烟草组合物。 在其中一个实施例中，单酰基吡嗪调味剂是 1-吡嗪基-2,2-二甲基-1-丙酮： 在卷烟吸食条件下，上述单酰基吡嗪添加剂可为主流烟雾增香，并丰富侧流烟雾的香气。