methyl 5-methyl-2,4-dioxohexanoate | 20577-64-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: methyl 5-methyl-2,4-dioxohexanoate
• 英文别名: methyl 2,4-dioxo-5-methylhexenoate
• CAS: 20577-64-4
• 化学式: C₈H₁₂O₄
• mdl: MFCD00817560
• 分子量: 172.181
• InChiKey: ISJSONREVGCKRE-UHFFFAOYSA-N

物化性质

• 沸点：
  227.0±13.0 °C(Predicted)
• 密度：
  1.085±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  methyl 5-methyl-2,4-dioxohexanoate 在 氧气 、 manganese triacetate 作用下， 以 溶剂黄146 为溶剂， 反应 14.0h， 生成 8-benzyl-1-hydroxy-6-isobutyryl-4,4-diphenyl-8-aza-2,3-dioxabicyclo<4.3.0>nonan-9-one
  参考文献：
  名称：

  Nguyen, Van-Ha; Nishino, Hiroshi; Kurosawa, Kazu, Heterocycles, 1998, vol. 48, # 3, p. 465 - 480

  摘要：

  DOI：
• 作为产物：
  描述：

  3-甲基-2-丁酮 、 草酸二甲酯 在 potassium tert-butylate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 以71 %的产率得到methyl 5-methyl-2,4-dioxohexanoate
  参考文献：
  名称：

  [EN] BICYCLIC PHTHALAZIN-1(2H)-ONE DERIVATIVES AND RELATED USES
  [FR] DÉRIVÉS BICYCLIQUES DE PHTALAZIN-1(2H)-ONE ET UTILISATIONS ASSOCIÉES

  摘要：

  The present disclosure relates to compounds of Formula (III): and to their pharmaceutically acceptable salts, pharmaceutical compositions, methods of use, and methods for their preparation. The compounds disclosed herein are useful for inhibiting the maturation of cytokines of the IL-1 family by inhibiting inflammasomes and may be used in the treatment of disorders in which inflammasome activity is implicated, such as inflammatory, autoinflammatory and autoimmune diseases and cancers.

  公开号：

  WO2023133271A1

文献信息

• [EN] APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF<br/>[FR] AGONISTES DU RÉCEPTEUR DE L'APELINE ET LEURS MÉTHODES D'UTILISATION
  申请人：SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST

  公开号：WO2019032720A1

  公开（公告）日：2019-02-14

  Provided herein are agonists of the apelin receptor for the treatment of disease. The compounds disclosed herein are useful for the treatment of a range of cardiovascular, renal and metabolic conditions.

  本文提供了用于治疗疾病的阿普林受体激动剂。本文披露的化合物对于治疗一系列心血管、肾脏和代谢状况是有用的。
• Synthesis, Acaricidal Activity, and Structure–Activity Relationships of Pyrazolyl Acrylonitrile Derivatives
  作者：Haibo Yu、Yan Cheng、Man Xu、Yuquan Song、Yanmei Luo、Bin Li

  DOI：10.1021/acs.jafc.6b04221

  日期：2016.12.28

  novel pyrazolyl acrylonitrile derivatives was designed, targeting Tetranychus cinnabarinus, and synthesized. Their structures were identified by combination of 1H NMR, 13C NMR, and MS spectra. The structures of compounds 18 and 19 were further confirmed by X-ray diffraction. Extensive greenhouse bioassays indicated that compound 19 exhibits excellent acaricidal activity against all developmental stages

  设计并合成了一系列新颖的吡唑基丙烯腈衍生物，并以朱砂叶螨（Tetranychus cinnabarinus）为靶标。它们的结构通过1 H NMR，13 C NMR和MS光谱的组合来鉴定。化合物18和19的结构通过X射线衍射进一步证实。大量的温室生物测定表明，化合物19对朱砂毛虫的所有发育阶段均表现出优异的杀螨活性，优于商品化的嘧菌草醚和螺二氯芬。结果表明，化合物19的急性毒性对哺乳动物来说是相当低的。还讨论了结构与活动之间的关系。
• Substituted pyrazolo[1,5-a]pyrimidines as apelin receptor agonists
  申请人：Sanford Burnham Prebys Medical Discovery Institute

  公开号：US11345705B2

  公开（公告）日：2022-05-31

  Provided herein are agonists of the apelin receptor of Formula (I): for the treatment of disease. The compounds disclosed herein are useful for the treatment of a range of cardiovascular, renal and metabolic conditions.

  本文提供的是式 (I) 的芹菜素受体激动剂： 用于治疗疾病。本文公开的化合物可用于治疗一系列心血管、肾脏和代谢疾病。
• Approach to the Library of 3-Hydroxy-1,5-dihydro-2<i>H</i>-pyrrol-2-ones through a Three-Component Condensation
  作者：Sergey V. Ryabukhin、Dmitriy M. Panov、Andrey S. Plaskon、Oleksandr O. Grygorenko

  DOI：10.1021/co300082t

  日期：2012.12.10

  A convenient procedure for the parallel synthesis of 3-hydroxy-1,5-dihydro-2H-pyrrol-2-ones through a three-component condensation of active methylene compounds, aldehydes, and amines was developed. It was shown that the use of acetic acid as the reaction medium was suitable for the considerably reactive substrates with no additional functionalities. The substrates with low reactivity and those possessing carboxylic groups or additional basic centers required the use of DMF as the solvent and chlorotrimethylsilane as the reaction promoter was necessary. More than 3000 pyrrolones were synthesized by the developed procedure. To demonstrate the scope of the described approach 114 library representatives were fully characterized.
• Pyrazolo[4,3-D]pyrimidines, process for their preparation and methods of use
  申请人：Ústav Experimentální Botaniky AV CR, v.v.i. (Institute of Experimental Botany Academy of Sciences of the Czech Republic, PRO)

  公开号：EP1475094B8

  公开（公告）日：2011-01-12