3-acetyl-4-oxo-pentanal | 31857-49-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-acetyl-4-oxo-pentanal
• 英文别名: 3-Acetyl-4-oxopentanal
• CAS: 31857-49-5
• 化学式: C₇H₁₀O₃
• 分子量: 142.155
• InChiKey: LYYPOICKTVAEJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(2-methanesulfinyl-2-methylsulfanyl-ethyl)-pentane-2,4-dione 在 高氯酸 作用下， 以 乙腈 为溶剂， 生成 3-acetyl-4-oxo-pentanal
  参考文献：
  名称：

  乙炔硫缩醛一氧化碳：新颖且通用的一类二碳迈克尔受体

  摘要：

  DOI：

  10.1016/s0040-4039(01)87317-2

文献信息

• Strong solid base reagents and catalysts based on carbonaceous supports
  作者：Russell S. Drago、Krzysztof Jurczyk

  DOI：10.1039/p19960000927

  日期：——

  high affinities for basic hydroxides, fluorides and oxides. The resulting materials are demonstrated to be strong base catalysts for solution and gas phase reactions. They can also be used as stoichiometric reagents to generate carbanions in solution. When the solid is filtered off and the solution temperature raised to initiate the reaction, very selective Michael addition reactions occur.

  多孔碳对碱性氢氧化物，氟化物和氧化物具有很高的亲和力。所得材料被证明是用于溶液和气相反应的强碱催化剂。它们也可以用作化学计量试剂，以在溶液中生成碳负离子。当固体被滤出并且溶液温度升高以引发反应时，发生非常选择性的迈克尔加成反应。
• Heterocyclic rearrangements. Part V. Transformations of 3,5-diacetyl-4-chloromethyl-1,4-dihydro-2,6-dimethylpyridine
  作者：R. C. Allgrove、L. A. Cort、J. A. Elvidge

  DOI：10.1039/j39710000434

  日期：——

  treated with cyanide ion. When treated with water, (Ia) gives 3,5-diacetyl-4-(2-acetyl-3-oxobutyl)-1,4-dihydro-2,6-dimethylpyridine (IIIa) and a rearrangement product, 4-acetyl-2-(1-acetyl-2-oxopropyl)-2,3-dihydro-5-methylfuran (V). Pyrolysis of the dihydrofuran (V) yields 3,6-bis-(1-hydroxyethylidene)oct-4-ene-2,7-dione (VI) whereas hydrolysis gives the fulvene, 1,3-diacetyl-5-(1-hydroxyethylidene)-2-methylcyclopenta-1

  标题化合物（Ia）经历了预期的环扩展为3,6-二乙酰-4,5-二氢-2,7-二甲基-1 H用氰化物离子处理时，生成-azepine-4-caritrile（II）。用水处理后，（Ia）得到3,5-二乙酰基-4-（2-乙酰基-3-氧代丁基）-1,4-二氢-2,6-二甲基吡啶（IIIa）和重排产物4-乙酰基- 2-（1-乙酰基-2-氧丙基）-2,3-二氢-5-甲基呋喃（V）。二氢呋喃（V）的热解生成3,6-双-（1-羟乙叉基）辛-4-烯-2,7-二酮（VI），而水解则生成富烯1,3-二乙酰基-5-（1-羟基亚乙基）-2-甲基环戊-1,3-二烯（VII），3-乙酰基戊烷-1,4-二酮（IX）和乙酰丙酮。给出了结构证明并描述了化合物（IX）的合成。讨论了化合物（IX）的互变异构现象以及化合物（Ia）和（IIIa）重排的机理。
• TITANIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRINS
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1806336B1

  公开（公告）日：2009-09-30
• Titanium Compound and Process for Producing Optically Active Cyanohydrins
  申请人：Yoshinaga Kazuhiko

  公开号：US20070265463A1

  公开（公告）日：2007-11-15

  The present invention relates to a titanium compound produced from a reaction mixture of a titanium tetraalkoxide compound with water and an optically active ligand represented by the following general formula (1), or a titanium oxoalkoxide compound and an optically active ligand represented by the following general formula (1), wherein, in the formula, R 2 , R 3 and R 4 independently represent a hydrogen atom, an alkyl group or the like, and A* represents a hydrocarbon-containing group with three or more carbon atoms having an asymmetric carbon atom or axial asymmetry. The invention further relates to a process for producing optically active cyanohydrins which is characterized by reacting a carbonyl compound with a cyanating agent in the presence of such a titanium compound.
• US7732544B2
  申请人：——

  公开号：US7732544B2

  公开（公告）日：2010-06-08