1-(benzylthio)ethyl acetate

• 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: 1-(benzylthio)ethyl acetate
• 英文别名: 1-Benzylsulfanylethyl acetate
• 化学式: C₁₁H₁₄O₂S
• 分子量: 210.297
• InChiKey: AGZVLEJJVFROMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  乙酸乙烯酯 、 苄硫醇 在 pseudomonas lipase 作用下， 以 甲苯 为溶剂， 反应 72.0h， 以85%的产率得到1-(benzylthio)ethyl acetate
  参考文献：
  名称：

  Synthesis of α-Arylthioalkyl Esters: The Addition Reactions of Vinyl Esters with Arylthiols Catalyzed by Lipase

  摘要：

  Abstractα‐Arylthioalkyl esters can be prepared by the addition reactions of vinyl esters with arylthiols in the presence of Pseudomonas lipase (PSL) as catalyst. In the toluene, the reaction mixtures were stirred at 60 °C for three days, the chemical yields up to 85% were obtained.

  DOI：

  10.1002/jccs.199700012

文献信息

• <i>Candida antarctica</i>Lipase B (CAL-B)-Catalyzed Carbon-Sulfur Bond Addition and Controllable Selectivity in Organic Media
  作者：Feng-Wen Lou、Bo-Kai Liu、Qi Wu、De-Shui Lv、Xian-Fu Lin

  DOI：10.1002/adsc.200800207

  日期：2008.9.5

  A novel enzymatic, promiscuous protocol for Candida antarctica lipase B (CAL-B)-catalyzed carbon-sulfur bond addition is described. Some control experiments have been designed to demonstrate the catalytic specificity of CAL-B. Selectivity between anti-Markovnikov addition and Markovnikov addition was achieved in different organic media. A series of thioether-containing ester functional groups was synthesized

  描述了一种新型的酶促混合方案，用于南极假丝酵母脂肪酶B（CAL-B）催化的碳硫键加成。设计了一些对照实验来证明CAL-B的催化特异性。在不同的有机介质中实现了反马尔科夫尼科夫加法和马尔科夫尼科夫加法之间的选择性。在CAL-B催化下于50°C合成了一系列含硫醚的酯官能团。所有产物均通过光谱法（IR，NMR，ESI-MS）表征。