thiobenzoic acid (4-ethoxy-2-methylene-but-3-enyl) ester

• 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: thiobenzoic acid (4-ethoxy-2-methylene-but-3-enyl) ester
• 英文别名: S-(4-ethoxy-2-methylidenebut-3-enyl) benzenecarbothioate
• 化学式: C₁₄H₁₆O₂S
• 分子量: 248.346
• InChiKey: YGHPTARTGFTVEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.67
• 重原子数：
  17.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  propargyl S-thiobenzoate 、 乙烯基乙醚 在 ruthenium carbene catalyst 乙烯 作用下， 以 苯 为溶剂， 20.0 ℃ 、34.47 kPa 条件下， 反应 20.0h， 以99%的产率得到thiobenzoic acid (4-ethoxy-2-methylene-but-3-enyl) ester
  参考文献：
  名称：

  Ethylene-Promoted Intermolecular Enyne Metathesis

  摘要：

  [GRAPHICS]Intermolecular enyne metathesis between functional group-rich alkynes and vinyl ethers was promoted by ethylene cometathesis. The concentration of ethylene was optimized to suppress the competing formation of butadiene through background ethylene metathesis. The role of ethylene appears to be both protective and rate enhancing.

  DOI：

  10.1021/ol035270b

文献信息

• Ethylene-Promoted Intermolecular Enyne Metathesis
  作者：Anthony J. Giessert、Nicholas J. Brazis、Steven T. Diver

  DOI：10.1021/ol035270b

  日期：2003.10.1

  [GRAPHICS]Intermolecular enyne metathesis between functional group-rich alkynes and vinyl ethers was promoted by ethylene cometathesis. The concentration of ethylene was optimized to suppress the competing formation of butadiene through background ethylene metathesis. The role of ethylene appears to be both protective and rate enhancing.