trifluoroborane-dimethylsulfoxide | 865-41-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 亚砜
• 英文名称: trifluoroborane-dimethylsulfoxide
• 英文别名: methylsulfinylmethane;trifluoroborane
• CAS: 865-41-8
• 化学式: BF₃*C₂H₆OS
• 分子量: 145.941
• InChiKey: XSHYFPRFQBRLIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.87
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  {difluoro(1,10-phenanthroline)boronium}BF4 、 二甲基亚砜 以 二甲基亚砜 为溶剂， 生成 trifluoroborane-dimethylsulfoxide
  参考文献：
  名称：

  Chelated fluoroboron cations

  摘要：

  Possible methods of formation of chelated fluoroboron cations (DD)BF2+ and (DD)BFX+, where DD is 2,2'-bipyridine (bpy), 1,10-phenanthroline (1,10-phen), 2,2',6',2"-terpyridine (terpy) and 1,8-bis(dimethylamino) naphthalene (DMAN, 'proton sponge'), have been investigated, primarily by F-19 and B-11 NMR and fast atom bombardment mass spectrometry. The most successful method involves displacement of weakly basic isoxazole (ISOX) and heavy halide ion from ISOX . BF2X and ISOX . BFX2 (X = Cl, Br). Displacement of pyridine from py . BF2Cl and py . BFCl2 is less effective because pyridine, more basic than isoxazole, competes with the chelating donor in forming fluoroboron cations when displaced from its adducts. 1,10-Phen, terpy and DMAN form (DD)BF2+ . BF4- when reacted with Et2O . BF3 or with ISOX . BF3 under our conditions, but bpy does not. None of these chelating ligands can displace pyridine from (py)(2)BF2+ . PF6- under conditions that are effective with tertiary-amine chelating donors. (1,10-Phen)BF2+ but not the other (DD)BF2+ species is attacked by dimethylsulfoxide (DMSO), to form first (DMSO)(2)BF2+ and finally DMSO . BF3. (C) 2000 Elsevier Science Ltd All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00339-3

文献信息

• Hsu, Chung Chun; Geanangel, Inorganic Chemistry, 1980, vol. 19, # 1, p. 110 - 119
  作者：Hsu, Chung Chun、Geanangel

  DOI：——

  日期：——
• SANTOSUSSO T. M.; SWERN D., J. ORG. CHEM. <JOCE-AH>, 1975, 40, NO 19, 2764-2769
  作者：SANTOSUSSO T. M.、 SWERN D.

  DOI：——

  日期：——