S-(1-phenylethyl) 2-phenylethanethioate | 1268479-24-8

• 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: S-(1-phenylethyl) 2-phenylethanethioate
• CAS: 1268479-24-8
• 化学式: C₁₆H₁₆OS
• 分子量: 256.368
• InChiKey: PPGQNILEHLFVJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-Phenylethyl phenyldithioacetate 在 偶氮二异丁腈 、 氧气 作用下， 以 苯 为溶剂， 反应 10.0h， 生成 S-(1-phenylethyl) 2-phenylethanethioate
  参考文献：
  名称：

  Radical-induced oxidation of RAFT agents-A kinetic study

  摘要：

  AbstractRadical‐induced oxidation of reversible addition‐fragmentation chain transfer (RAFT) agents is investigated with respect to the effect of molecular structure on oxidation rate. The radicals are generated by homolysis of either azobisisobutyronitrile or alkoxyamine and transformed in situ immediately into peroxy radicals through transfer to molecular oxygen. It is found that the oxidation rate depends on the structure of Z‐ and R‐group of thiocarbonylthio compounds. For dithioesters with identical Z‐phenyl substituent, the oxidation rate decreases in the order of cyanoisopropyl (C(Me)2CN) > cumyl (C(Me)2Ph) > phenylethyl (CH(Me)Ph) > 2‐methoxy‐1‐methyl‐2‐oxoethyl (CH(Me) C(O)OCH3) > benzyl (CH2Ph). For dithioesters with identical R‐group, the oxidation rate decreases in the order of Z = phenyl− ∼ benzyl− > RS− (trithiocarbonates) > RO− (xanthates). The stability of the RAFT agents toward oxidation correlates well with the chain transfer abilities as those previously reported by Rizzardo and coworkers. The priority of the oxidation reaction over the RAFT process, and the subsequent influence on RAFT polymerization are also investigated. © 2011 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011

  DOI：

  10.1002/pola.24554