9-(diisopropylamino)-10-(diisopropyliminio)-9,10-dihydro-9-phosphaphenathrene tetrachlorogallate | 167556-16-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 9-(diisopropylamino)-10-(diisopropyliminio)-9,10-dihydro-9-phosphaphenathrene tetrachlorogallate
• 英文别名: [5-[Di(propan-2-yl)amino]phosphanthridin-6-ylidene]-di(propan-2-yl)azanium;tetrachlorogallanuide
• CAS: 167556-16-3
• 化学式: C₂₅H₃₆N₂P*Cl₄Ga
• 分子量: 607.083
• InChiKey: RRWRQKFMNMUAIY-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  6.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  bis(diisopropylamino)chlorophosphonium-fluorenylide 以 二氯甲烷 、 正戊烷 、 苯 为溶剂， 生成 9-(diisopropylamino)-10-(diisopropyliminio)-9,10-dihydro-9-phosphaphenathrene tetrachlorogallate
  参考文献：
  名称：

  芴基亚膦的新型扩环异构

  摘要：

  The synthesis and conclusive characterization of a series of fluorenyl- and fluorenylidene-tetraalkyldiaminophosphorus compounds (alkyl = ethyl and isopropyl) are described. The phosphines 6 are obtained by reaction of chlorodiaminophosphines with fluorenyllithium and are quantitatively oxidized to the phosphorane 7 by reaction with CCl4. Crystal structures of the isopropyl derivatives are reported. (Crystal data for 6a: C25H37N2P, M = 396.55, P2(1)/n, a = 15.710(5) Angstrom, b = 9.66(1) Angstrom, c 15.93(2) Angstrom, beta = 91.48(6)degrees, V = 2417(7) Angstrom(3), Z = 4, D-c = 1.089 Mg/m(3), R = 0.0538. For 7a: C25H36ClN2P, M = 431.00, P2(1)/c, a = 8.69(1) Angstrom, b = 16.24(1) Angstrom, c = 17.16 (2)Angstrom, beta = 96.0(1)degrees, V = 2409(8) Angstrom(3), Z = 4, D-c = 1.188 Mg/m(3), R = 0.0481.) Contrary to previous reports (with AlCl3) reaction of the phosphoranes with GaCl3 gives the covalent complexes 7-GaCl3. The ethyl derivative is stable, while the isopropyl derivative undergoes a quantitative isomerization to give 9-(diisopropylamino)-10-(diisopropyliminio)-9,10-dihydro-9-phosphaphenanthrene tetrachlorogallate 5[GaCl4] via a novel ring expansion rearrangement. (Crystal data for 5[GaCl4]: C25H36Cl4GaN2P, M = 607.08; P2(1)/n; a = 9.884(3) Angstrom; b = 21.189(4) Angstrom; c 14.639(4) Angstrom; beta 95.12(2)degrees; V = 3054(2) Angstrom(3); Z = 4; D-c = 1.320 Mg/m(3); R = 0.0393.)

  DOI：

  10.1021/om00008a025