3,4,5,6-tetramethyl-2-pyridone | 95727-39-2

• 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
• 英文名称: 3,4,5,6-tetramethyl-2-pyridone
• 英文别名: 3,4,5,6-Tetramethylpyridin-2(1H)-one；3,4,5,6-tetramethyl-1H-pyridin-2-one
• CAS: 95727-39-2
• 化学式: C₉H₁₃NO
• 分子量: 151.208
• InChiKey: SVRMGDULMMTCIL-UHFFFAOYSA-N

物化性质

• 沸点：
  305.0±15.0 °C(Predicted)
• 密度：
  0.960±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,4,5,6-tetramethyl-2-pyridone 在 potassium carbonate 作用下， 以 氯仿 、 丙酮 为溶剂， 反应 4.0h， 生成 (1R,8S)-1,8,9,11,12-Pentamethyl-9-aza-tricyclo[6.2.2.02,7]dodeca-2(7),3,5,11-tetraen-10-one
  参考文献：
  名称：

  Reactions of 1-unsubstituted tautomeric 2-pyridones with benzyne.

  摘要：

  1-未取代的2-吡啶酮与苯炔的反应生成了Diels-Alder加成产物5, 6-苯并-2-氮杂巴雷ланы-3 (2H)-酮，同时生成了大量的迈克尔型加成产物2-苯氧基吡啶。

  DOI：

  10.1248/cpb.33.2313

文献信息

• Macrocyclic Compounds As Antiviral Agents
  申请人：Harper Steven

  公开号：US20100183551A1

  公开（公告）日：2010-07-22

  A class of macrocyclic compounds of formula (I), wherein R 1 , R 3 , R 4 , R a , R b , A, Z, Y, X, M, W, n and m are defined herein, that are useful as inhibitors of viral proteases, particularly the hepatitis C virus (HCV) NS3 protease, are provided. Also provided are processes 5 for the synthesis and use of such macrocyclic compounds for treating or preventing HCV infection. Formula (I):

  提供一类宏环化合物的化学式（I），其中R1、R3、R4、Ra、Rb、A、Z、Y、X、M、W、n和m如下所定义，这些化合物可作为病毒蛋白酶的抑制剂，特别是对乙型肝炎病毒（HCV）NS3蛋白酶的抑制剂。还提供了合成和使用这类宏环化合物用于治疗或预防HCV感染的方法。化学式（I）：
• The Structure–Reactivity–Chemoselectivity Relationship on the Reactions of 1-Unsubstituted Tautomeric 2-Pyridones with Benzyne
  作者：Masayuki Kuzuya、Akihiro Noguchi、Ei-ichi Mano、Takachiyo Okuda

  DOI：10.1246/bcsj.58.1149

  日期：1985.4

  The reactions of 2-pyridones with benzyne were investigated in order to gain some insight into the structure–reactivity–chemoselectivity relationship involved in the tautomeric systems. All reactions examined have resulted in the formation of Diels-Alder and Michael-type adducts. It has been shown that the Diels-Alder reactivities were well correlated with the HOMO energy levels of the 2-pyridone form and the yields of the Michael-type adduct were closely associated with the tautomeric equilibria. In summary, the chemoselectivities of 2-pyridones in the reaction with benzyne were largely affected by the tautomeric properties.

  对2-吡啶酮与苯炔的反应进行了研究，以获取有关该互变异构体系中结构-反应性-化学选择性关系的深入见解。所有检查的反应都导致了狄尔斯-阿尔德和迈克尔型加成物的形成。研究表明，狄尔斯-阿尔德的反应性与2-吡啶酮形式的最高占据分子轨道（HOMO）能级之间有良好的相关性，而迈克尔型加成物的产率与互变平衡密切相关。总之，2-吡啶酮与苯炔反应中的化学选择性受到互变特性的很大影响。
• FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF
  申请人：FUJII Nobuhiro

  公开号：US20090227561A1

  公开（公告）日：2009-09-10

  The present invention provides a compound having a superior Smo inhibitory activity and lower toxicity, which is sufficiently satisfactory as a pharmaceutical product. The present invention provides a compound represented by the formula wherein ring A is 5- to 7-membered ring optionally having substituent(s), where substituents are optionally bonded to each other to form a ring; X is O, S or NR 1 (R 1 is a hydrogen atom or a hydrocarbon group optionally having substituent(s)); R 2 is carbamoyl optionally having substituent(s); and R 3 is hydroxy optionally having substituent(s), or a salt thereof.

  本发明提供了一种具有优异的Smo抑制活性和较低毒性的化合物，该化合物作为药物产品是完全令人满意的。本发明提供了一种由下式表示的化合物： 其中，环A是5-至7-成员环，可选择地具有取代基，其中取代基可选择地与彼此结合形成环；X是O、S或NR1（R1是氢原子或具有取代基的碳氢基团）；R2是氨基甲酰，可选择地具有取代基；R3是羟基，可选择地具有取代基，或其盐。
• METHODS OF TREATING ATRIAL FIBRILLATION WITH P38 INHIBITOR COMPOUNDS
  申请人：Olgin Jeff

  公开号：US20120046321A1

  公开（公告）日：2012-02-23

  The invention disclosed herein relates generally to compounds and methods useful in treating or preventing atrial fibrillation (AF).

  本发明涉及一般与化合物和方法有关，用于治疗或预防心房颤动（AF）。
• METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM
  申请人：Blatt Lawrence M.

  公开号：US20120258924A1

  公开（公告）日：2012-10-11

  Disclosed are methods of modulating a stress activated protein kinase (SAPK) system with an active compound, wherein the active compound exhibits low potency for inhibition of at least one p38 MAPK; and wherein the contacting is conducted at a SAPK-modulating concentration that is at a low percentage inhibitory concentration for inhibition of the at least one p38 MAPK by the compound. Also disclosed are derivatives of pirfenidone. These derivatives can modulate a stress activated protein kinase (SAPK) system.

  本发明涉及使用活性化合物调节应激激活蛋白激酶（SAPK）系统的方法，其中该活性化合物对至少一种p38 MAPK抑制的效力较低；并且该接触是在该化合物对至少一种p38 MAPK的抑制浓度低百分比的SAPK调节浓度下进行的。本发明还涉及吡非尼酮的衍生物，这些衍生物可以调节应激激活蛋白激酶（SAPK）系统。