ethyl t-butylpivaloylacetate | 75574-68-4

• 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: ethyl t-butylpivaloylacetate
• 英文别名: Ethyl 2-tert-butyl-4,4-dimethyl-3-oxopentanoate
• CAS: 75574-68-4
• 化学式: C₁₃H₂₄O₃
• 分子量: 228.332
• InChiKey: HXAXBAJBIQGEQM-UHFFFAOYSA-N

物化性质

• 沸点：
  235.4±8.0 °C(Predicted)
• 密度：
  0.935±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl t-butylpivaloylacetate 生成 tert-butyl-(2,2-dimethyl-propionyl)-ketene
  参考文献：
  名称：

  Direct observation of .alpha.-oxo ketenes formed from 1,3-dioxin-4-ones and the enols of .beta.-keto esters

  摘要：

  The enol forms of beta-keto esters thermolyze to alcohols and alpha-oxo ketenes, which are characterized by low-temperature IR spectroscopy and on warming regenerate the beta-hydroxy-alpha,beta-unsaturated esters. The matrix isolated s-Z and s-E forms of alpha-oxo ketenes are characterized and photochemically converted into other conformers or sites. Matrix photolysis of 2,2,6-trimethyl-1,3-dioxin-4-one gives the s-Z acetylketene initially. Alpha-Oxo ketenes polymerize in the cold and dimerize only at elevated temperatures.

  DOI：

  10.1021/jo00007a008
• 作为产物：
  描述：

  2,5,5-trimethyl-2,3-hexadiene (tert-butyldimethylallene) 在 四氧化钌 、 乙醇 、 叔丁基锂 、 二甲基亚砜 作用下， 反应 25.0h， 生成 ethyl t-butylpivaloylacetate
  参考文献：
  名称：

  Wolff, Steven; Agosta, William C., Canadian Journal of Chemistry, 1984, vol. 62, p. 2429 - 2434

  摘要：

  DOI：

文献信息

• Preparation of Pd(II) enolate complexes and their reactions
  作者：Yoshihiko Ito、Masashi Nakatsuka、Naoki Kise、Takeo Saegusa

  DOI：10.1016/s0040-4039(00)78631-x

  日期：1980.1

  Palladium(II) enolate complexes have been prepared by the reaction of Pd(II)Cl2-(PhCN)2 with trimethylsilyl enol ethers and reacted with CO and ethylene.

  通过使Pd（II）Cl 2-（PhCN）2与三甲基甲硅烷基烯醇醚反应并与CO和乙烯反应来制备烯醇钯（II）配合物。
• WOLFF, S.;AGOSTA, W. C., CAN. J. CHEM., 1984, 62, N 11, 2429-2434
  作者：WOLFF, S.、AGOSTA, W. C.

  DOI：——

  日期：——
• Wolff, Steven; Agosta, William C., Canadian Journal of Chemistry, 1984, vol. 62, p. 2429 - 2434
  作者：Wolff, Steven、Agosta, William C.

  DOI：——

  日期：——
• Direct observation of .alpha.-oxo ketenes formed from 1,3-dioxin-4-ones and the enols of .beta.-keto esters
  作者：Beat Freiermuth、Curt Wentrup

  DOI：10.1021/jo00007a008

  日期：1991.3

  The enol forms of beta-keto esters thermolyze to alcohols and alpha-oxo ketenes, which are characterized by low-temperature IR spectroscopy and on warming regenerate the beta-hydroxy-alpha,beta-unsaturated esters. The matrix isolated s-Z and s-E forms of alpha-oxo ketenes are characterized and photochemically converted into other conformers or sites. Matrix photolysis of 2,2,6-trimethyl-1,3-dioxin-4-one gives the s-Z acetylketene initially. Alpha-Oxo ketenes polymerize in the cold and dimerize only at elevated temperatures.