ethyl 2-acetyl-5-(benzylthio)-5-phenylhexanoate | 1338781-74-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: ethyl 2-acetyl-5-(benzylthio)-5-phenylhexanoate
• 英文别名: ethyl 2-acetyl-5-benzylsulfanyl-5-phenylhexanoate
• CAS: 1338781-74-0
• 化学式: C₂₃H₂₈O₃S
• 分子量: 384.54
• InChiKey: SEEJJOHSRVZNLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.38
• 重原子数：
  27.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  ethyl 2,6-dimethyl-2-phenyl-3,4-dihydro-2H-pyran-5-carboxylate 、 苄硫醇 在 manganese(II) bromide 作用下， 以 硝基甲烷 为溶剂， 反应 24.0h， 以81%的产率得到ethyl 2-acetyl-5-(benzylthio)-5-phenylhexanoate
  参考文献：
  名称：

  2-Aryl-3,4-dihydropyrans as building blocks for organic synthesis: ring-opening reactions with nucleophiles

  摘要：

  An electrophilic ring-opening reaction of 2-aryl-3,4-dihydropyran with many nucleophiles, such as thiophenols, thiols, benzenesulfinic acid, resorcin, 2-methylfuran, benzamide and allyltrimethylsilane, was developed. In the presence of an appropriate catalyst, a product that contains not only a moiety of the nucleophile but also a fragment of 1,3-dicarbonyl compound was obtained. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.08.075

文献信息

• 2-Aryl-3,4-dihydropyrans as building blocks for organic synthesis: ring-opening reactions with nucleophiles
  作者：Minghao Li、Yanlong Gu

  DOI：10.1016/j.tet.2011.08.075

  日期：2011.10

  An electrophilic ring-opening reaction of 2-aryl-3,4-dihydropyran with many nucleophiles, such as thiophenols, thiols, benzenesulfinic acid, resorcin, 2-methylfuran, benzamide and allyltrimethylsilane, was developed. In the presence of an appropriate catalyst, a product that contains not only a moiety of the nucleophile but also a fragment of 1,3-dicarbonyl compound was obtained. (C) 2011 Elsevier Ltd. All rights reserved.