Benzyl-valeroylacetat | 66696-91-1

• 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: Benzyl-valeroylacetat
• 英文别名: Benzyl 3-oxoheptanoate
• CAS: 66696-91-1
• 化学式: C₁₄H₁₈O₃
• 分子量: 234.295
• InChiKey: SZDBJWLCTHTZKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 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：

  Benzyl-valeroylacetat 在 对甲苯磺酰叠氮 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 4.5h， 以96%的产率得到2-Diazo-3-oxo-heptanoic acid benzyl ester
  参考文献：
  名称：

  A general synthesis of dioxolenone prodrug moieties

  摘要：

  A general method for the synthesis of dioxolenone prodrug moieties from appropriately substituted beta-ketoesters is described. This novel and versatile sequence allows for the synthesis of alkyl- or aryl-substituted dioxolenone alcohols 8 or bromides 9. Coupling of the bromides 9 to prepare bis-dioxolenone phosphonate prodrug esters is also presented. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)02386-3
• 作为产物：
  描述：

  (±)-benzyl hepta-2,3-dienoate 在 Oxone 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以67%的产率得到Benzyl-valeroylacetat
  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：——