phenylselenium(II) diisopropyldithiophosphate | 1159074-41-5

• 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: phenylselenium(II) diisopropyldithiophosphate
• 英文别名: PhSeSP(S)(OPr(i))2；Phenylselanylsulfanyl-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane；phenylselanylsulfanyl-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane
• CAS: 1159074-41-5
• 化学式: C₁₂H₁₉O₂PS₂Se
• 分子量: 369.347
• InChiKey: QRFZGFHYDFYQTL-UHFFFAOYSA-N

物化性质

• 熔点：
  80-81 °C
• 沸点：
  397.6±25.0 °C(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.74
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  75.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  硫代过氧二磷酸四异丙酯 、 二苯基二硒醚 以 氯仿 为溶剂， 反应 48.0h， 以70%的产率得到phenylselenium(II) diisopropyldithiophosphate
  参考文献：
  名称：

  Organoselenium(II) complexes containing organophosphorus ligands. Crystal and molecular structure of PhSeSP(S)Ph2, [2-{MeN(CH2CH2)2NCH2}C6H4]SeSP(S)R′2 (R′ = Ph, OPr ) and [2-{O(CH2CH2)2NCH2}C6H4]SeSP(S)(OPr )2

  摘要：

  Arylselenium(II) derivatives of dithiophosphorus ligands of type ArSeSP(S)R-2 [Ar = Ph, R = Ph (1), OPri (2); 2-[MeN(CH2CH2)(2)NCH2]C6H4, R = Ph (3), OPri (4); 2-[O(CH2CH2)(2)NCH2]C6H4, R = OPri (6)] were prepared by redistribution reactions between Ar2Se2 and [R2P(S)S](2). The derivative [2-{O(CH2CH2)(2)NCH2}C6H4]SeSP(S)Ph-2 (5) was obtained by the salt metathesis reaction between [2-{O(CH2CH2)(2)NCH2}C6H4]SeCl and NH4S2PPh2. The compounds were investigated by multinuclear (H-1, C-13, P-31, Se-77) NMR and infrared spectroscopy. The crystal and molecular structures of 1, 3, 4 and 6 were determined by single-crystal X-ray diffraction. In compounds 3, 4 and 6 the N(1) atom is intramolecularly coordinated to the selenium center, resulting in a T-shaped geometry (hypervalent 10-Se-3 species). The dithiophosphorus ligands act as anisobidentate in 1 and monodentate in 3, 4 and 6. Supramolecular architectures based on intermolecular S center dot center dot center dot H and N center dot center dot center dot H contacts between molecular units are formed in the hypervalent derivatives 3 and 4, while in the compounds 1 and 6 the molecules are associated into polymeric chains through either Se center dot center dot center dot S or O center dot center dot center dot H contacts, with no further inter-chain interactions. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.12.011