methyl 4-methoxy-2-methyl-3-oxobutanoate | 74991-78-9

• 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: methyl 4-methoxy-2-methyl-3-oxobutanoate
• 英文别名: methyl 4-metoxy-2-methyl-3-oxo-butanoate；methyl 2-methyl-4-(methyloxy)-3-oxobutanoate；Methyl 4-methoxy-2-methylacetoacetate
• CAS: 74991-78-9
• 化学式: C₇H₁₂O₄
• 分子量: 160.17
• InChiKey: OQJGCIUEWBVLGC-UHFFFAOYSA-N

物化性质

• 沸点：
  217.8±15.0 °C(Predicted)
• 密度：
  1.057±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 4-methoxy-2-methyl-3-oxobutanoate 生成 3-[(2,4-Dinitro-phenyl)-hydrazono]-4-methoxy-2-methyl-butyric acid methyl ester
  参考文献：
  名称：

  Failure to verify a reported synthesis of the aconitine skeleton

  摘要：

  DOI：

  10.1016/s0040-4039(00)87303-7
• 作为产物：
  描述：

  3,4-dimethoxy-2-butenoate 、 碘甲烷 生成 methyl 4-methoxy-2-methyl-3-oxobutanoate
  参考文献：
  名称：

  An integrated approach to the synthesis of contiguously substituted xanthopurpurins, pachybasins and purpurins.

  摘要：

  Alkylation, hydroxyalkylation and acylation of 3-methyl-, 3-methoxy- and 3,4-dimethoxycrotonates can be induced to occur exclusively in the alpha-Position. Conversion of the products to dienes then provides, through cycloaddition, a wide variety of substitution patterns. This approach is illustrated by simplified syntheses of a number of naturally occurring quinones and confirms the structures proposed for vismiaquinone C, 7-geranylemodin, cinnalutein, 4,5-dihydroxydigitolutein, 2-hydroxyislandicin 1-methyl ether and calyculatone 1-methyl ether.

  DOI：

  10.1016/s0040-4020(01)80322-7

文献信息

• [EN] INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR<br/>[FR] MODULATEURS INDOLES ET AZAINDOLES DU NACHR-?7
  申请人：PROXIMAGEN LTD

  公开号：WO2011045353A1

  公开（公告）日：2011-04-21

  This invention relates to modulation of the α7 nicotinic acetylcholine receptor (nAChR) by a compound of formula (I) or a pharmaceutically acceptable salt thereof.

  这项发明涉及利用式(I)的化合物或其药用可接受盐对α7尼古丁乙酰胆碱受体(nAChR)进行调节。
• Acetoacetic acid ester derivatives for the manufacture of
  申请人：Givaudan Corporation

  公开号：US04892966A1

  公开（公告）日：1990-01-09

  The invention is concerned with a novel process for the manufacture of compounds of the formula ##STR1## wherein R.sup.1 signifies C.sub.1-5 -alkyl, especially methyl, ethyl, propyl or isopropyl, and the radicals R.sup.2 each independently represent hydrogen or C.sub.1-5 -alkyl, especially hydrogen or methyl, ethyl, propyl or isopropyl. The process is characterized in that a compound of the formula ##STR2## wherein R stands for C.sub.1-4 -alkoxy, chlorine, bromine or C.sub.1-4 -alkanoyloxy, R.sup.1 and R.sup.2 have the above significance and R.sup.3 represents C.sub.1-4 -alkyl. is hydrolyzed and subjected to an aldol condensation and, where R=C.sub.1-4 -alkoxy, the reaction product is subsequently subjected to an acid treatment. The compounds I are for the most part known flavoring substances.

  这项发明涉及一种新型制备公式为##STR1##其中R.sup.1表示C.sub.1-5-烷基，尤其是甲基、乙基、丙基或异丙基，基团R.sup.2各自独立地表示氢或C.sub.1-5-烷基，尤其是氢或甲基、乙基、丙基或异丙基的化合物的制备方法。该方法的特点在于，将公式为##STR2##其中R代表C.sub.1-4-烷氧基、氯、溴或C.sub.1-4-烷酰氧基，R.sup.1和R.sup.2具有上述意义，R.sup.3代表C.sub.1-4-烷基的化合物水解并进行醛缩反应，在R=C.sub.1-4-烷氧基的情况下，反应产物随后经过酸处理。化合物I大多数是已知的调味物质。
• INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR
  申请人：Dinnell Kevin

  公开号：US20120283273A1

  公开（公告）日：2012-11-08

  This invention relates to modulation of the α7 nicotinic acetylcholine receptor (nAChR) by a compound of formula (I) or a pharmaceutically acceptable salt thereof.

  本发明涉及利用式(I)的化合物或其药学上可接受的盐来调节α7尼古丁酰胆碱受体(nAChR)的方法。
• Indole and azaindole modulators of the alpha 7 nAChR
  申请人：Proximagen Limited

  公开号：US20150005321A1

  公开（公告）日：2015-01-01

  This invention relates to modulation of the α7 nicotinic acetylcholine receptor (nAChR) by a compound of formula (I): or a pharmaceutically acceptable salt thereof.

  本发明涉及一种通过式(I)化合物或其药学上可接受的盐来调节α7尼古丁乙酰胆碱受体(nAChR)的方法。
• Indole and azaindole modulators of the alpha 7 nachr
  申请人：Dinnell Kevin

  公开号：US08796283B2

  公开（公告）日：2014-08-05

  This invention relates to modulation of the α7 nicotinic acetylcholine receptor (nAChR) by a compound of formula (I): or a pharmaceutically acceptable salt thereof.

  本发明涉及使用式(I)的化合物或其药学上可接受的盐来调节α7尼古丁乙酰胆碱受体(nAChR)的方法。