1,3-bis(2,6-dimethylphenyl)-2,4-ditriflato-1,3,2,4-diazadiphosphetidine

• 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: 1,3-bis(2,6-dimethylphenyl)-2,4-ditriflato-1,3,2,4-diazadiphosphetidine
• 英文别名: [1,3-Bis(2,6-dimethylphenyl)-4-(trifluoromethylsulfonyloxy)-1,3,2,4-diazadiphosphetidin-2-yl] trifluoromethanesulfonate；[1,3-bis(2,6-dimethylphenyl)-4-(trifluoromethylsulfonyloxy)-1,3,2,4-diazadiphosphetidin-2-yl] trifluoromethanesulfonate
• 化学式: C₁₈H₁₈F₆N₂O₆P₂S₂
• 分子量: 598.421
• InChiKey: HXABLGPGROVJRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  1,3-bis(2,6-dimethylphenyl)-2,4-ditriflato-1,3,2,4-diazadiphosphetidine 、 1,1,2,2-四甲基-二膦 以 二氯甲烷 为溶剂， 生成 bis(dimethylphosphino)dimethylphosphonium trifluoromethanesulfonate
  参考文献：
  名称：

  A second polymorph of bis(dimethylphosphino)dimethylphosphonium trifluoromethanesulfonate

  摘要：

  The title compound, C6H18P3+center dot CF3SO3-, crystallizes in two polymorphic forms in the space groups P2(1)/c and Pnma. In the orthorhombic form, the two crystallographically independent molecular units lie across a crystallographic mirror plane. The compound lacks traditional hydrogen-bond donors and, hence, is held together by weak C-H center dot center dot center dot O and C-H center dot center dot center dot F interactions, forming layers. The second polymorph was obtained as a by-product from the reaction of 1,3-bis(2,6-dimethylphenyl)-2,4-ditriato-1,3,2,4-diazadiphosphetidine with tetramethyldiphosphine.

  DOI：

  10.1107/s0108270107006671

文献信息

• A second polymorph of bis(dimethylphosphino)dimethylphosphonium trifluoromethanesulfonate
  作者：Jan J. Weigand、Reagan J. Davidson、T. Stanley Cameron、Neil Burford

  DOI：10.1107/s0108270107006671

  日期：2007.3.15

  The title compound, C6H18P3+center dot CF3SO3-, crystallizes in two polymorphic forms in the space groups P2(1)/c and Pnma. In the orthorhombic form, the two crystallographically independent molecular units lie across a crystallographic mirror plane. The compound lacks traditional hydrogen-bond donors and, hence, is held together by weak C-H center dot center dot center dot O and C-H center dot center dot center dot F interactions, forming layers. The second polymorph was obtained as a by-product from the reaction of 1,3-bis(2,6-dimethylphenyl)-2,4-ditriato-1,3,2,4-diazadiphosphetidine with tetramethyldiphosphine.