2-(cyclohexylsulfanyl)-1,1-dimethylallyl acetate

• 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: 2-(cyclohexylsulfanyl)-1,1-dimethylallyl acetate
• 英文别名: (3-Cyclohexylsulfanyl-2-methylbut-3-en-2-yl) acetate
• 化学式: C₁₃H₂₂O₂S
• 分子量: 242.382
• InChiKey: OYYIRWMIPAPBMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 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：

  环己硫醇 、 1,1-二甲基丙-2-炔基乙酸酯 在 palladium diacetate γ-松油烯 作用下， 反应 0.5h， 以88%的产率得到2-(cyclohexylsulfanyl)-1,1-dimethylallyl acetate
  参考文献：
  名称：

  New Approach for Size- and Shape-Controlled Preparation of Pd Nanoparticles with Organic Ligands. Synthesis and Application in Catalysis

  摘要：

  A novel approach was developed to prepare Pd nanoparticles with organic ligands in high yields. The structural unit of the Pd species was constructed involving Pd-S bonds. The synthesized Pd particles were highly selective catalysts of S-H bond addition to alkynes under microwave heating. An X-ray diffraction study of one of the products of the addition reaction revealed unusual supramolecular organization of cation/anion layers.

  DOI：

  10.1021/ja071727r