2,6-bis[(phenylthio)methyl]phenyl phenyl telluride Te-oxide | 201865-07-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,6-bis[(phenylthio)methyl]phenyl phenyl telluride Te-oxide
• 英文别名: 2,6-bis[(phenylthio)methyl]phenyl phenyl telluride oxide；1,3-Bis(phenylsulfanylmethyl)-2-phenyltellurinylbenzene
• CAS: 201865-07-8
• 化学式: C₂₆H₂₂OS₂Te
• 分子量: 542.192
• InChiKey: RWKPUIOOHRNGKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.81
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  67.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  三氟甲磺酸酐 、 2,6-bis[(phenylthio)methyl]phenyl phenyl telluride Te-oxide 以 乙腈 为溶剂， 生成 C₂₆H₂₂S₂Te⁽²⁺⁾*2CF₃O₃S^(1-)
  参考文献：
  名称：

  Furukawa, Naomichi; Kobayashi, Katsutoshi; Sato, Soichi, Phosphorus, Sulfur and Silicon and the Related Elements, 1998, vol. 136, p. 471 - 474

  摘要：

  DOI：
• 作为产物：
  描述：

  C6H3(CH2SPh)2-2,6-Br-1 在 正丁基锂 、 次氯酸叔丁酯 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 2,6-bis[(phenylthio)methyl]phenyl phenyl telluride Te-oxide
  参考文献：
  名称：

  Crystal Structures and ab Initio Calculations of New Dicationic Telluranes (λ⁴-Tellane), [10−Te−4(C2X2)]²⁺ (X = S, Se):  Positively Charged Hypervalent Bonding Systems

  摘要：

  The reactions of 2,6-bis[(phenylthio- or phenylseleno)methyl]phenyl phenyl telluride or the corresponding Te-oxide, with NOBF4 or trifluoromethanesulfonic anhydride afforded the new telluranes, [10-Te-4(C2X2)](2+.)2Y(-) (lambda(4)-tellane) (X = S or Se, Y = BF4 or CF3SO3). These compounds were characterized by elemental and spectroscopic (FABMS, H-1, C-13, and Te-125 NMR) analyses. X-ray structure determinations revealed that the hypervalent tellurium atoms are at the center of a distorted trigonal bipyramid, with two apical sulfonio or selenonio ligands connected via transannular bonds. The Te-S distances are in the range 2.652-2.706 Angstrom, the Te-Se distances in the range 2.759-2.807 Angstrom, and the X-Te-X bond angles in the range 160.41-163.92 degrees. Ab initio calculations indicate that the positive charges in the dications are exclusively on the three chalcogen atoms that farm three-center, four-electron bonds.

  DOI：

  10.1021/ja972930x