3-Oxo-tridec-12-enoic acid benzyl ester | 66696-96-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Oxo-tridec-12-enoic acid benzyl ester
• 英文别名: benzyl 3-oxotridec-12-enoate
• CAS: 66696-96-6
• 化学式: C₂₀H₂₈O₃
• 分子量: 316.441
• InChiKey: WVSKRKITYZUOMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  23
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  C₂₀H₂₆O₂ 在 Oxone 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以63%的产率得到3-Oxo-tridec-12-enoic acid benzyl ester
  参考文献：
  名称：

  Oxone-promoted hydration of electron-deficient allenic esters and ketones into 1,3-dicarbonyl compounds

  摘要：

  A novel and mild protocol for the hydration of electron-deficient allenic esters and ketones into various 1,3-dicarbonyl compounds is described. The hydration of allenes promoted by oxone in DMF afforded the corresponding products in moderate to good yields. This work features the employment of only a catalytic amount of inexpensive and nontoxic solid reagent oxone (2KHSO(5)center dot KHSO4 center dot K2SO4), avoiding the utility of toxic metals or traditional Bronsted acids, in a green version of viewpoint. A possible reaction mechanism for this transformation is also primarily proposed. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.05.120

文献信息

• Meldrum's acid in organic synthesis. 2. A general and versatile synthesis of .beta.-keto esters
  作者：Yuji Oikawa、Kiyoshi Sugano、Osamu Yonemitsu

  DOI：10.1021/jo00404a066

  日期：1978.5
• OIKAWA YUJI; SUGANO KIYOSHI; YONEMITSU OSAMU, J. ORG. CHEM., 1978, 43, NO 10, 2087-2088
  作者：OIKAWA YUJI、 SUGANO KIYOSHI、 YONEMITSU OSAMU

  DOI：——

  日期：——