(pyrimidinyl-2-thiomethyl)triphenyltin | 140847-26-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (pyrimidinyl-2-thiomethyl)triphenyltin
• 英文别名: triphenyl(pyrimidin-2-ylsulfanylmethyl)stannane
• CAS: 140847-26-3
• 化学式: C₂₃H₂₀N₂SSn
• 分子量: 475.201
• InChiKey: AABCDZMMUPHUBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.28
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  25.78
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (pyrimidinyl-2-thiomethyl)triphenyltin 在 Cl₂ 、 CCl₄ 作用下， 以 四氯化碳 为溶剂， 以90%的产率得到(pyrimidinyl-2-thiomethyl)diphenyltin chloride
  参考文献：
  名称：

  Synthesis, characterisation and halogen-cleavage reactions of Ph3SnCH2SR (R = benzothiazole, benzoxazole, 1-methylimidazole, pyrimidine)

  摘要：

  The compounds Ph3SnCH2SR (R = benzothiazole (bth), benzoxazole (box), N-methylimidazole (Meim) and pyrimidine (pym)) and (RSCH2)4Sn have been synthesised from RSNa and Ph3SnCH2I or (ICH2)4Sn, respectively. Subsequent reaction of Ph3SnCH2SR with one equivalent of X2 (X = Cl, Br, I) leads exclusively to cleavage of the Sn-Ph bond. The structures of Ph2(X)SnCH2R are discussed in terms of their H-1, C-13, Sn-119 NMR and Sn-119 Mossbauer spectra.

  DOI：

  10.1016/0022-328x(92)80003-g
• 作为产物：
  描述：

  ICH2SnPh3 、 2-巯基嘧啶 在 Na 作用下， 以 乙醇 为溶剂， 以76%的产率得到(pyrimidinyl-2-thiomethyl)triphenyltin
  参考文献：
  名称：

  Synthesis, characterisation and halogen-cleavage reactions of Ph3SnCH2SR (R = benzothiazole, benzoxazole, 1-methylimidazole, pyrimidine)

  摘要：

  The compounds Ph3SnCH2SR (R = benzothiazole (bth), benzoxazole (box), N-methylimidazole (Meim) and pyrimidine (pym)) and (RSCH2)4Sn have been synthesised from RSNa and Ph3SnCH2I or (ICH2)4Sn, respectively. Subsequent reaction of Ph3SnCH2SR with one equivalent of X2 (X = Cl, Br, I) leads exclusively to cleavage of the Sn-Ph bond. The structures of Ph2(X)SnCH2R are discussed in terms of their H-1, C-13, Sn-119 NMR and Sn-119 Mossbauer spectra.

  DOI：

  10.1016/0022-328x(92)80003-g