[(2,6-(P(O)(OEt)2)2-4-t-Bu-C6H2)SnCl2C6H5] | 226941-30-6

• 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: [(2,6-(P(O)(OEt)2)2-4-t-Bu-C6H2)SnCl2C6H5]
• CAS: 226941-30-6
• 化学式: C₂₄H₃₆Cl₂O₆P₂Sn
• 分子量: 672.11
• InChiKey: XWAQDIPLAHKIKZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.46
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  83
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [(2,6-(P(O)(OEt)2)2-4-t-Bu-C6H2)SnCl2C6H5] 以 二氯甲烷 、 水 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  The O,C,O-Coordinating Pincer-Type Ligand {2,6-[P(O)(OEt)₂]₂-4-t-Bu-C₆H₂}^- in Organotin Chemistry. Halide Exchange, Cyclization, and Novel Coordination Mode

  摘要：

  eactions in solution of the hypercoordinated organotin chlorides {2,6-[P(O)(OEt)(2)](2)-4-tBu-C6H2}SnCl2X (X = Ph, Cl) with fluoride ions have been studied using temperature-dependent Sn-119 and P-31 NMR spectroscopy and electrospray mass spectrometry. The syntheses and molecular structures of the novel intramolecularly coordinated diorganotin difluoride {2,6-[P(O)(OEt)(2)](2)-4-t-Bu-C6H2}SnF2Ph .0.5H(2)O (1), the heterocyclic compound {[1(Sn),3(P)-PhClSnOP(O)(OEt)-5-t-Bu-7-P(O)(OEt)(2)]C6H2}(2) (3), and the monoorganotin difluoride hydroxide {{2,6-[P(O)(OEt)(2)](2)-4-t-Bu-C6H2}SnF2OH}(2) (6) are reported. In the crystal lattice, compound 1 forms an adduct composed of two tin moieties and a water molecule which are linked via F . . .H-O-H . . .F hydrogen bridges. The intramolecularly coordinated benzoxaphosphastannole derivative 3 is formed by intramolecular cyclization of {2,6-[P(O)(OEt)(2)](2)-4-t-Bu-C6H2}SnCl2Ph with elimination of ethyl chloride and dimerization. The organotin difluoride hydroxide derivative 6 is a dimer in the solid state as a result of intermolecular hydroxide bridges. Also present are intramolecular Sn-O-H . . .O=P hydrogen bonds. The configuration at tin is best described as a monocapped octahedron.

  DOI：

  10.1021/om0103714