acetic acid 1-ethyl-(1-ethylpropyl)prop-2-ynyl ester | 950681-00-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: acetic acid 1-ethyl-(1-ethylpropyl)prop-2-ynyl ester
• CAS: 950681-00-2
• 化学式: C₁₀H₁₆O₂
• 分子量: 168.236
• InChiKey: KRHLYFJTRKWENK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.99
• 重原子数：
  12.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  acetic acid 1-ethyl-(1-ethylpropyl)prop-2-ynyl ester 在 air 、 potassium iodide 、 copper(l) chloride 、 palladium(II) iodide 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 水 为溶剂， 反应 7.0h， 生成 3-benzyl-4-(1-ethylpropyl)-5-(2-morpholin-4-yl-2-oxoethyl)-3H-oxazol-2-one
  参考文献：
  名称：

  An Unprecedented Pd-Catalyzed, Water-Promoted Sequential Oxidative Aminocarbonylation−Cyclocarbonylation Process Leading to 2-Oxazolidinones

  摘要：

  An unprecedented, PdI2-catalyzed, sequential oxidative aminocarbonylation-cyclocarbonylation process, leading to 2-oxazolidinone derivatives 3 in good to excellent yields starting from readily available alpha,alpha-disubstituted 2-ynylamines 1 and secondary amines 2, is reported. In the case of an alpha-monosubstituted substrate, the initially formed 2-oxazolidinone derivative underwent shift of the double bond to give a 3H-oxazol-2-one derivative in excellent isolated yield.

  DOI：

  10.1021/ol071332c
• 作为产物：
  描述：

  乙酸酐 、 4-ethyl-1-hexyn-3-ol 在 magnesium(II) perchlorate 作用下， 反应 3.0h， 以93%的产率得到acetic acid 1-ethyl-(1-ethylpropyl)prop-2-ynyl ester
  参考文献：
  名称：

  An Unprecedented Pd-Catalyzed, Water-Promoted Sequential Oxidative Aminocarbonylation−Cyclocarbonylation Process Leading to 2-Oxazolidinones

  摘要：

  An unprecedented, PdI2-catalyzed, sequential oxidative aminocarbonylation-cyclocarbonylation process, leading to 2-oxazolidinone derivatives 3 in good to excellent yields starting from readily available alpha,alpha-disubstituted 2-ynylamines 1 and secondary amines 2, is reported. In the case of an alpha-monosubstituted substrate, the initially formed 2-oxazolidinone derivative underwent shift of the double bond to give a 3H-oxazol-2-one derivative in excellent isolated yield.

  DOI：

  10.1021/ol071332c

文献信息

• Copper-Catalyzed Synthesis of Furo[3,2-c]coumarins and Dihydrofuro[3,2-c]coumarins through a Propargylation/Alkyne Oxacyclization/Isomerization Cascade under Microwave Irradiation
  作者：Jian-Wu Xie、Hai-Lei Cui、Xiao-Yan Zhang、Li-Li Hu、Ze Shen、Zhong-Zhu Chen、Zhi-Gang Xu、Shi-Qiang Li

  DOI：10.1055/s-0035-1560500

  日期：——

  A novel copper-catalyzed microwave-promoted propargyl­ation/alkyne oxacyclization/isomerization cascade for the synthesis of 2-methylfuro[3,2-c]coumarins has been developed. This reaction provides furo[3,2-c]coumarins in moderate to good yields (≤82%) from readily available 4-hydroxycoumarins and terminal propargyl acetates as starting materials. Interestingly, by changing the solvent from dimethyl

  已开发出一种用于合成 2-甲基呋喃 [3,2-c] 香豆素的新型铜催化微波促进炔丙基化/炔氧杂环化/异构化级联。该反应以容易获得的 4-羟基香豆素和末端乙酸炔丙酯为起始原料，以中等至良好的产率 (≤82%) 提供呋喃 [3,2-c] 香豆素。有趣的是，通过将溶剂从二甲亚砜改为 1,2-二氯乙烷，2-亚甲基-2,3-二氢呋喃 [3,2-c] 香豆素的异构系列以良好的收率（≤85%）获得。