tri-p-tolylbismuth bis(4-methylbenzenesulfonate) | 171776-55-9

• 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: tri-p-tolylbismuth bis(4-methylbenzenesulfonate)
• 英文别名: p-Tol3Bi(OSO2C6H4Me-4)2；tris(4-methylphenyl)-bis-(4-methylphenyl)sulfonyloxybismuth
• CAS: 171776-55-9
• 化学式: C₃₅H₃₅BiO₆S₂
• 分子量: 824.772
• InChiKey: YBAJZBSBEYEPOH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.46
• 重原子数：
  44.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  86.74
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  tri-p-tolylbismuth bis(4-methylbenzenesulfonate) 、 水 以 丙酮 为溶剂， 以90%的产率得到μ-oxobis[(4-methylbenzenesulfonato)tri-p-tolylbismuth]
  参考文献：
  名称：

  Synthesis, structure and reactions of μ-oxobis(arenesulfonatotriarylbismuth)

  摘要：

  醋酮中三芳基铋双（芳磺酸盐）的水解反应生成了通式为[Ar3Bi(OSO2Ar’)]2O（其中Ar=Ph，p-Tol；Ar’=Ph，C6H4Me-4，C6H3Me2-2,4，C6H3Me2-3,4）的铋衍生物。通过X射线衍射确定了μ-氧双[（3,4-二甲基苯磺酸根）三苯基铋]的结构。该分子具有中心对称线性结构，桥连氧原子位于反转中心。铋原子具有扭曲的三角双锥配位，桥连氧原子和芳磺酸根位于轴向位置。Bi-C和Bi-O的键长分别为2.200(2)、2.204(3)和2.442(2) Å，Bi-Obr的键长为2.067(1) Å。

  DOI：

  10.1007/s11176-005-0011-x

文献信息

• ——
  作者：V. V. Sharutin

  DOI：10.1023/a:1023667500059

  日期：——

  Tetra-p-tolylantimony 4-methylbenzenesulfonate (I) was synthesized via the reaction of tri-p-tolyl-bismuth bis(4-methylbenzenesulfonate) with penta-p-tolylantimony in toluene. According to the X-ray diffraction data, the antimony atoms of two individual molecules of I have a distorted trigonal bipyramidal coordination with the axial 4-methylbenzenesulfonate ligand and three equatorial tolyl ligands, one of which contains four carbon atoms disordered over two sites with the occupancy factors 0.7 and 0.3.
• ——
  作者：V. V. Sharutin、I. V. Egorova、I. I. Pavlushkina、A. P. Pakusina、N. V. Nasonova、M. A. Pushilin、A. V. Gerasimenko、E. A. Gerasimenko、A. S. Sergienko

  DOI：10.1023/a:1022325831721

  日期：——

  mu-Oxo-bis[(4-methylbenzenesulfonato)triphenylantimony] (I) and mu-oxo-bis[(2,5-dimethylbenzenesulfonato)triphenylantimony] (II) were synthesized by reacting triphenylstibine Ph3Sb with tri-p-tolylbismuth bis(4-methylbenzenesulfonate) and tri-p-tolylbismuth bis(2,5-dimethylbenzenesulfonate), respectively, in toluene in the presence of air moisture. According yo X-ray diffraction data, the antimony atoms in the compounds synthesized have a distorted trigonal bipyramidal configuration. The SbOSb angles are equal to 138.5(2)degrees and 180degrees, respectively. A bent molecule I contains the Sb(1)Sb-...(2) (3.690(1) Angstrom) and (SbS)-S-...(1,2) (3.521(2), 3.559(2) Angstrom) intramolecular contacts. In a linear molecule II, the Sb...S distances are equal to 3.438(1) Angstrom.