3-methyl-4-(2,2-dimethyl-6-oxo-6H-1,3-dioxin-4-yl)butanal | 129199-50-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-methyl-4-(2,2-dimethyl-6-oxo-6H-1,3-dioxin-4-yl)butanal
• 英文别名: 4-(2,2-Dimethyl-6-oxo-1,3-dioxin-4-yl)-3-methylbutanal
• CAS: 129199-50-4
• 化学式: C₁₁H₁₆O₄
• 分子量: 212.246
• InChiKey: GMSXJYSVWDTYFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 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：

  3-methyl-4-(2,2-dimethyl-6-oxo-6H-1,3-dioxin-4-yl)butanal 以 四氢呋喃 、 甲苯 为溶剂， 生成 6-Methyl-8-vinyl-oxocane-2,4-dione
  参考文献：
  名称：

  由二恶烯酮合成8元环内酯

  摘要：

  羟基-二氧杂环戊烯酮的热解产生8元环β-酮内酯，其可能适合于天然存在的8元环环状醚的合成。

  DOI：

  10.1039/c39900000836
• 作为产物：
  描述：

  (2,2-dimethyl-6-methylene-6H-1,3-dioxin-4-yloxy)trimethylsilane 、 丁烯-2-醛 反应 23.0h， 以73%的产率得到3-methyl-4-(2,2-dimethyl-6-oxo-6H-1,3-dioxin-4-yl)butanal
  参考文献：
  名称：

  Solvent-free Mukaiyama and Mukaiyama–Michael vinylogous reactions of a dioxinone-derived silyl enol ether promoted by Lewis bases

  摘要：

  The vinylogous aldol-type addition of a dienolsilyl ether, derived from 2,2,6-trimethyl-4H-1,3-dioxin-4-one, showed to occur with complete gamma-selectivity by enolate activation promoted by neutral Lewis bases under solvent-free conditions. Moderate to high yields were obtained with aromatic, hetero-aromatic, and aliphatic aldehydes, as well as activated ketones. Under the same conditions and in the absence of catalyst, the first Mukaiyama-Michael addition of the masked acetoacetate ester to alpha,beta-unsaturated aldehydes took place in satisfactory way. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.05.016

文献信息

• PETASIS, NICOS A.;PATANE, MICHAEL A., J. CHEM. SOC. CHEM. COMMUN.,(1990) N1, C. 836-837
  作者：PETASIS, NICOS A.、PATANE, MICHAEL A.

  DOI：——

  日期：——