| 1588950-52-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1588950-52-0
• 化学式: C₁₃H₁₀OS
• 分子量: 214.288
• InChiKey: DKENPBOWLSBUPL-SREVYHEPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.73
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  5-(2-苯乙基-1-基)噻吩-2-甲苯 在 甲酸 、 (η3-allyl)(N,N'-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)chloropalladium(II) 、 三乙胺 、 三苯基膦 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以99%的产率得到
  参考文献：
  名称：

  Convenient Transfer Semihydrogenation Methodology for Alkynes Using a Pd^II-NHC Precatalyst

  摘要：

  A convenient and easy-to-use protocol for the Z-selective transfer semihydrogenation of alkynes was developed, using ammonium formate as the hydrogen source and the easily prepared and commercially available, highly stable complex PdC1(eta(3)-C3H5)(IMes) (1) as the (pre)catalyst. Combined with triphenyl posphine as an additional ligand, this system provides a robust catalytic synthetic method that shows little to no over-reduction or isomerization after full substrate conversion. The system allows the direct use of solvents and reagents, as received from the supplier without drying or purification, thus providing a practical method for semihydrogenation of a broad range of alkynes. The mechanism behind these high and enhanced selectivities was determined through a set of kinetic experiments.

  DOI：

  10.1021/cs4011502