(1S)-2-methoxy-1-methyl-2-oxoethyl 3-oxobutanoate | 127537-31-9

• 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: (1S)-2-methoxy-1-methyl-2-oxoethyl 3-oxobutanoate
• 英文别名: Methyl (S)-α-(acetoacetoxy)-propionate；[(2S)-1-methoxy-1-oxopropan-2-yl] 3-oxobutanoate
• CAS: 127537-31-9
• 化学式: C₈H₁₂O₅
• 分子量: 188.18
• InChiKey: OUPPGRPNUUAZLK-LURJTMIESA-N

物化性质

• 沸点：
  256.7±15.0 °C(Predicted)
• 密度：
  1.140±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1S)-2-methoxy-1-methyl-2-oxoethyl 3-oxobutanoate 在 吡啶 作用下， 以 氘代氯仿 为溶剂， 生成 3-Oxo-2-thioxo-butyric acid (S)-1-methoxycarbonyl-ethyl ester
  参考文献：
  名称：

  α,α′-Dioxothiones part 2. Asymmetric Diels-Alder reactions of chiral non-racemic α,α′-dioxothiones

  摘要：

  Chiral non-racemic alpha,alpha'-dioxothiones 2a-g and 17 are obtained from chiral beta-ketoesters using the phthalimidesulfenyl chloride 1 as key reagent. The ability of these thiones to discriminate between the enantiotopic faces of several dienophiles has been evaluated, The best diastereoisomeric excesses (67-80%) were obtained when the alpha-acyl thiones were involved as electron-poor dienes in inverse electron demand Diels-Alder reactions with electron-rich styrenes as dienophiles. The possibility to obtain thiones bearing two,chiral groups as-well as the reactions where the alpha-acyl thiones 2 participate as dienophiles are also shown. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10162-4
• 作为产物：
  描述：

  乳酸甲酯 在 三乙胺 作用下， 以19.1gm (85%)的产率得到(1S)-2-methoxy-1-methyl-2-oxoethyl 3-oxobutanoate
  参考文献：
  名称：

  Herbicide mixtures

  摘要：

  一种除草剂组合物包括载体、第一除草剂和第二除草剂，第二除草剂是3-(1-氨基)乙烯基-5-甲基-呋喃-2,4-二酮。

  公开号：

  EP0351021A2

文献信息

• [EN] PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES<br/>[FR] DERIVES DE PYRIMIDINONE UTILISES COMME AGENTS THERAPEUTIQUES CONTRE DES PROCESSUS INFLAMMATOIRES, ISCHEMIQUES ET DE REMODELAGE AIGUS ET CHRONIQUES
  申请人：BAYER HEALTHCARE AG

  公开号：WO2004024700A1

  公开（公告）日：2004-03-25

  The invention relates to novel heterocyclic derivatives, processes for their preparation, and their use in medicaments, especially for the treatment of chronic obstructive pulmonary diseases.

  这项发明涉及新颖的杂环衍生物，其制备方法以及它们在药物中的应用，特别是用于慢性阻塞性肺疾病的治疗。
• Substituted heterocyclic herbicides
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0351020A2

  公开（公告）日：1990-01-17

  A method of combating undesired plant growth comprises the pre-emergent application to soil of 3-(1-amino)-ethylidene-5-methyl-furan-2,4-dione.

  一种对抗不受欢迎的植物生长的方法包括在土壤中预防性应用3-（1-氨基）-乙烯基-5-甲基呋喃-2,4-二酮。
• Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes
  申请人：Gielen-Haertwig Heike

  公开号：US20060160801A1

  公开（公告）日：2006-07-20

  The invention relates to novel heterocyclic derivatives, processes for their preparation, and their use in medicaments, especially for the treatment of chronic obstructive pulmonary diseases.

  该发明涉及新型杂环衍生物，其制备方法以及在药物中的应用，特别是用于慢性阻塞性肺疾病的治疗。
• Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes
  申请人：Bayer Healthcare AG

  公开号：US07687510B2

  公开（公告）日：2010-03-30

  The invention relates to novel heterocyclic derivatives, processes for their preparation, and their use in medicaments, especially for the treatment of chronic obstructive pulmonary diseases.

  本发明涉及新型杂环衍生物、其制备方法以及它们在药物中的应用，特别是用于慢性阻塞性肺疾病的治疗。
• PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES
  申请人：Bayer Intellectual Property GmbH

  公开号：EP1546113B1

  公开（公告）日：2013-05-01