[(2,6-(MeOCH2)2C6H3)SbCl(CF3SO3)] | 941715-20-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: [(2,6-(MeOCH2)2C6H3)SbCl(CF3SO3)]
• 英文别名: antimony(3+);1,3-bis(methoxymethyl)benzene-2-ide;trifluoromethanesulfonate;chloride
• CAS: 941715-20-4
• 化学式: C₁₁H₁₃ClF₃O₅SSb
• 分子量: 471.485
• InChiKey: BXYNMDCNCGURGG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.55
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  84
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  [(2,6-(MeOCH2)2C6H3)SbCl2] 、 silver trifluoromethanesulfonate 以 二氯甲烷 为溶剂， 以89%的产率得到[(2,6-(MeOCH2)2C6H3)SbCl(CF3SO3)]
  参考文献：
  名称：

  Synthesis and Structural Study of Organoantimony(III) and Organobismuth(III) Triflates and Cations Containing O,C,O-Pincer Type Ligands

  摘要：

  The reactions of intramolecularly coordinated organoantimony and organobismuth dihalides (LSbCl2)-Sb-1 and (LBiCl2)-Bi-2, containing two types of O,C,O-pincer ligands 2,6-(ROCH2)C6H3- (L-1, R = Me; L-2, R = Bu-t), with silver salts of the weakly nucleophilic polar groups CF3SO3- (OTf) and CB11H12- (in 1:1 and 1:2 molar ratios) gave the following compounds: (LSbCl)-Sb-1(OTf) (1), (LBiCl)-Bi-2(OTf) (2), (LSb)-Sb-1(OTf)(2) (3), (LBi)-Bi-2(OTf)(2) (4), (LSbCl)-Sb-1(CB11H12) (5), (LBiCl)-Bi-2(CB11H12) (6). All compounds were characterized structurally by X-ray diffraction. In the solid state, compounds 1-3 have OTf groups covalently (although weakly) bound to the central metal atom. In compound 4, one of the OTf groups is bound in a unidentate fashion and the other in a weakly chelating fashion. Compounds 5 and 6 exist as separated ion pairs consisting of a [(LSbCl)-Sb-1(THF)](+) or [(LBiCl)-Bi-2](+) cation and CB11H12- anion. The donor oxygen atoms are coordinated to the metal atoms through strong intramolecular interactions in all compounds. The solution structures of all compounds were studied by the help of variable-temperature H-1 NMR measurements.

  DOI：

  10.1021/om070186b