[[Di(propan-2-yl)phosphinothioylamino]-phenylphosphinoselenoyl]benzene | 613231-99-5

• 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: [[Di(propan-2-yl)phosphinothioylamino]-phenylphosphinoselenoyl]benzene
• CAS: 613231-99-5
• 化学式: C₁₈H₂₅NP₂SSe
• 分子量: 428.377
• InChiKey: XSBXMNMTROCXHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.45
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  44.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  三(氰基式二烯基)铈 、 [[Di(propan-2-yl)phosphinothioylamino]-phenylphosphinoselenoyl]benzene 以 四氢呋喃 为溶剂， 生成 [Cp2Ce(η3-N(SP(i-Pr)2)(SePPh2))]
  参考文献：
  名称：

  Syntheses and characterization of Cp2Ce[η3-N(QPPh2)2] (Q=S, Se) and Cp2Ce[η3-N(SPiPr2)(SePPh2)]

  摘要：

  The compounds Cp2Ce[eta(3)-N(QPPh(2))(2)] (Q = S (1), Se (2)) and Cp2Ce[eta(3)-N((SPPr2)-Pr-i)(SePPh2)] (3) have been synthesized from the protonolysis reactions between Cp3Ce and HN(QPPh(2))(2) or HN((SPPr2)-Pr-i)(SePPh2) in THK The structures of these compounds have been determined by X-ray crystallographic methods. The three compounds have similar structures in which the ligands are coordinated to Cp2Ce moiety in an eta(3) fashion through the two chalcogen atoms and an N atom. Whereas the Se-77 NMR resonances are normal the P-31 NMR resonances are shifted to much lower frequencies than in similar rare-earth compounds. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.10.029

文献信息

• Syntheses and characterization of Cp2Ce[η3-N(QPPh2)2] (Q=S, Se) and Cp2Ce[η3-N(SPiPr2)(SePPh2)]
  作者：Perumal Sekar、James A. Ibers

  DOI：10.1016/j.ica.2005.10.029

  日期：2006.6

  The compounds Cp2Ce[eta(3)-N(QPPh(2))(2)] (Q = S (1), Se (2)) and Cp2Ce[eta(3)-N((SPPr2)-Pr-i)(SePPh2)] (3) have been synthesized from the protonolysis reactions between Cp3Ce and HN(QPPh(2))(2) or HN((SPPr2)-Pr-i)(SePPh2) in THK The structures of these compounds have been determined by X-ray crystallographic methods. The three compounds have similar structures in which the ligands are coordinated to Cp2Ce moiety in an eta(3) fashion through the two chalcogen atoms and an N atom. Whereas the Se-77 NMR resonances are normal the P-31 NMR resonances are shifted to much lower frequencies than in similar rare-earth compounds. (c) 2005 Elsevier B.V. All rights reserved.