| 171565-59-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• CAS: 171565-59-6
• 化学式: C₂₀H₁₈OS₂
• 分子量: 338.494
• InChiKey: USLKEIWLHJVFTD-QHCPKHFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.62
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以46%的产率得到(S,S)-1,2-bis(p-tolylsulfinyl)benzene
  参考文献：
  名称：

  Synthesis and crystal structure of a new c2-symmetric chiral bis-sulfoxide ligand and its palladium(ii) complex

  摘要：

  A new chiral bis-sulfoxide ligand (S,S)-1,2-bis(p-tolylsulfinyl)benzene (BTSB), which prossesses S.S-bidentate chelating donor atoms on an aromatic ring, was synthesized. Pd, Rh, and Ru readily gave adducts with this ligand. The crystal structure of PdCl2[btsb-S,S']. 2(C6H6) showed that this ligand had C-2-symmetric S-coordination. Moderate asymmetric induction was observed in the Pd-catalyzed allylic substitution using BTSB as a ligand.

  DOI：

  10.1016/0040-4039(95)01701-i
• 作为产物：
  描述：

  对甲砜基甲苯 在 正丁基锂 、 三氯硅烷 、 magnesium 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and crystal structure of a new c2-symmetric chiral bis-sulfoxide ligand and its palladium(ii) complex

  摘要：

  A new chiral bis-sulfoxide ligand (S,S)-1,2-bis(p-tolylsulfinyl)benzene (BTSB), which prossesses S.S-bidentate chelating donor atoms on an aromatic ring, was synthesized. Pd, Rh, and Ru readily gave adducts with this ligand. The crystal structure of PdCl2[btsb-S,S']. 2(C6H6) showed that this ligand had C-2-symmetric S-coordination. Moderate asymmetric induction was observed in the Pd-catalyzed allylic substitution using BTSB as a ligand.

  DOI：

  10.1016/0040-4039(95)01701-i