1,1,1,3-tetrahydro-1-isopropylidene-1-phenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphole | 461679-37-8

• 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: 1,1,1,3-tetrahydro-1-isopropylidene-1-phenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphole
• 英文别名: 1-Phenyl-1-propan-2-ylidene-3,3-bis(trifluoromethyl)-2,1lambda5-benzoxaphosphole；1-phenyl-1-propan-2-ylidene-3,3-bis(trifluoromethyl)-2,1λ5-benzoxaphosphole
• CAS: 461679-37-8
• 化学式: C₁₈H₁₅F₆OP
• 分子量: 392.281
• InChiKey: GWEUVXMWVXSZOO-UHFFFAOYSA-N

物化性质

• 沸点：
  386.5±52.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,1,1,3-tetrahydro-1-isopropylidene-1-phenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphole 在 Cp₂TiSe₅ 作用下， 以 四氢呋喃 为溶剂， 以85%的产率得到3',3'-dimethyl-1-phenyl-3,3-bis(trifluoromethyl)spiro[3H-2,1-benzoxaphosphole-1,2'λ⁵-[1,2]selenaphosphirane]
  参考文献：
  名称：

  第一个稳定的五配位硒磷烷的合成

  摘要：

  DOI：

  10.1080/10426500213458
• 作为产物：
  描述：

  Trifluoro-methanesulfonate1-isopropyl-1-phenyl-3,3-bis-trifluoromethyl-2-oxa-1-phosphonia-indan; 在 lithium methanethiolate 作用下， 以 四氢呋喃 为溶剂， 以83%的产率得到1,1,1,3-tetrahydro-1-isopropylidene-1-phenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphole
  参考文献：
  名称：

  Synthesis and Structure of the First 1,2σ⁵-Selenaphosphirane

  摘要：

  A 1,2sigma5-selenaphosphirane bearing the Martin ligand was synthesized. Its structure in both the solid and the solution state was established by X-ray crystallographic analysis and NMR measurements, respectively. The selenaphosphirane has a polar P-Se bond, and the selenium atom is negatively charged. In the solution state, the degree of polarization of the P-Se bond depends on the acceptor number of the solvents.

  DOI：

  10.1021/ja026107z

文献信息

• Isolation of a Cyclic Intermediate in the Reaction of a Phosphorus Ylide with Elemental Sulfur: Synthesis, Structure, and Reactivity of a 1,2σ⁵-Thiaphosphirane
  作者：Shohei Sase、Naokazu Kano、Takayuki Kawashima

  DOI：10.1246/cl.2004.1434

  日期：2004.11

  The reaction of a phosphorus ylide with elemental sulfur gave a pentacoordinate thiaphosphirane, which was characterized by X-ray crystallographic analysis, and it was allowed to react with element...

  磷叶立德与元素硫反应得到五配位硫杂环磷烷，通过X射线晶体分析对其进行表征，并使其与元素反应...
• Synthesis of the First Stable Pentacoordinate Selenaphosphirane
  作者：Shohei Sase、Naokazu Kano、Takayuki Kawashima

  DOI：10.1080/10426500213458

  日期：2002.8
• Synthesis and Structure of the First 1,2σ⁵-Selenaphosphirane
  作者：Shohei Sase、Naokazu Kano、Takayuki Kawashima

  DOI：10.1021/ja026107z

  日期：2002.8.1

  A 1,2sigma5-selenaphosphirane bearing the Martin ligand was synthesized. Its structure in both the solid and the solution state was established by X-ray crystallographic analysis and NMR measurements, respectively. The selenaphosphirane has a polar P-Se bond, and the selenium atom is negatively charged. In the solution state, the degree of polarization of the P-Se bond depends on the acceptor number of the solvents.