2,2-dimethyl-5-hydroxy-4-penten-3-one | 23517-43-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-dimethyl-5-hydroxy-4-penten-3-one
• 英文别名: 4,4-dimethyl-3-oxo-pentanal (Z)-1-enol tautomer；1c-hydroxy-4,4-dimethyl-pent-1-en-3-one；(Z)-1-hydroxy-4,4-dimethylpent-1-en-3-one
• CAS: 23517-43-3
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: WIAGNCOGJRYSJF-PLNGDYQASA-N

物化性质

• 沸点：
  201.7±32.0 °C(Predicted)
• 密度：
  0.968±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-5-hydroxy-4-penten-3-one 在 磺酰氯 作用下， 以 氯仿 为溶剂， 生成 E-2-氯乙烯基叔丁基酮
  参考文献：
  名称：

  Eberbach, Wolfgang; Roser, Joachim, Heterocycles, 1985, vol. 23, # 11, p. 2797 - 2802

  摘要：

  DOI：
• 作为产物：
  描述：

  Lithium, [3,3-dimethyl-2-(4-morpholinyl)-1-butenyl]-, (Z)- 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 5.5h， 生成 2,2-dimethyl-5-hydroxy-4-penten-3-one
  参考文献：
  名称：

  Duhamel, Lucette; Poirier, Jean-Marie; Tedga, Nicolas, Journal of Chemical Research, Miniprint, 1983, # 9, p. 2101 - 2126

  摘要：

  DOI：

文献信息

• Chelating Bis(thiophosphinic amidate)s as Versatile Supporting Ligands for the Group 3 Metals. An Application to the Synthesis of Highly Active Catalysts for Intramolecular Alkene Hydroamination
  作者：Young Kwan Kim、Tom Livinghouse、Yoshikazu Horino

  DOI：10.1021/ja021445l

  日期：2003.8.1

  Bis(thiophosphinic amidate) complexes (i.e., 1) of representative group 3 and lanthanide metals have been quantiatively prepared in situ from the corresponding thiophosphinic amides and Ln[N(TMS)2]3. These unusual pentacoordinate complexes exhibit very high activity as catalysts for intramolecular alkene hydroamination.

  由相应的硫代次膦酰胺和 Ln[N(TMS)2]3 原位定量制备了代表性第 3 族和镧系金属的双（硫代次膦酸酰胺）配合物（即 1）。这些不寻常的五配位配合物作为分子内烯烃加氢胺化的催化剂表现出非常高的活性。
• Mild acetalisation of mono and dicarbonyl compounds catalysed by titanium tetrachloride. Facile synthesis of β-keto enol ethers
  作者：Angelo Clerici、Nadia Pastori、Ombretta Porta

  DOI：10.1016/s0040-4020(00)01001-2

  日期：2001.1

  The use of TiCl4, as a catalyst for the acetalisation, at room temperature, of carbonyl compounds is reported. Cyclic ketones and cyclic 1,4-diketones easily afford dimethyl acetals, but cyclic 1,3-diketones give beta -keto enol ethers. Additionally, aryl ketones and acyclic ketones failed to react. beta -keto aldehydes can be monoprotected either as beta -keto enol ethers or beta -keto dimethyl acetals depending on the reaction time and catalyst amount. Some mechanistic features are accounted for. (C) 2000 Elsevier Science Ltd. All rights reserved.
• Electronic spectra of .alpha.,.beta.-unsaturated carbonyl compounds. I. An evaluation of increments characteristic of changes in configuration (cis/trans) and conformation (s-cis/s-trans) based on direct observation of the isomerization of enamino aldehydes and ketones
  作者：Janusz Dabrowski、Krystyna Kamienska-Trela

  DOI：10.1021/ja00426a026

  日期：1976.5
• Eberbach, Wolfgang; Roser, Joachim, Heterocycles, 1985, vol. 23, # 11, p. 2797 - 2802
  作者：Eberbach, Wolfgang、Roser, Joachim

  DOI：——

  日期：——
• Duhamel, Lucette; Poirier, Jean-Marie; Tedga, Nicolas, Journal of Chemical Research, Miniprint, 1983, # 9, p. 2101 - 2126
  作者：Duhamel, Lucette、Poirier, Jean-Marie、Tedga, Nicolas

  DOI：——

  日期：——