(R,S)-4,4'-bis(phenylmethyl)-2,2',5,5'-tetrahydro-2,2'-bioxazole | 262439-01-0

• 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: (R,S)-4,4'-bis(phenylmethyl)-2,2',5,5'-tetrahydro-2,2'-bioxazole
• 英文别名: (R,S)-4,4'-dibenzyl-2,2'-bis(2-oxazoline)；rel-(R,S)-4,4'-DiBenzyl-4,4',5,5'-tetrahydro-2,2'-bioxazole；(4S)-4-benzyl-2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
• CAS: 262439-01-0
• 化学式: C₂₀H₂₀N₂O₂
• 分子量: 320.391
• InChiKey: OIEQQWQZUYZCRJ-HDICACEKSA-N

物化性质

• 沸点：
  449.3±28.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  43.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  二(氰基苯)二氯化钯 、 (R,S)-4,4'-bis(phenylmethyl)-2,2',5,5'-tetrahydro-2,2'-bioxazole 以 二氯甲烷 为溶剂， 以93%的产率得到(R,S)-4,4'-dibenzyl-2,2'-bis(2-oxazoline-κN)dichloropalladium
  参考文献：
  名称：

  Sirbu, Doina; Consiglio, Giambattista; Milani, Barbara, Journal of Organometallic Chemistry, 2005, vol. 690, p. 2254 - 2262

  摘要：

  DOI：
• 作为产物：
  描述：

  (S)-(2-phenyl-1-hydroxymethyl)ethylamino ethyl oxalate 在 氢氧化钾 、 氯化亚砜 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 6.0h， 生成 (R,S)-4,4'-bis(phenylmethyl)-2,2',5,5'-tetrahydro-2,2'-bioxazole
  参考文献：
  名称：

  Palladium complexes with meso-bioxazoline ligands for alternating styrene/CO copolymerisation: Counterion effect

  摘要：

  Two sets of mono- and dicationic palladium complexes (8) and (10), having CF3SO3-, BF4- and PF6- as counterions, were synthesised. The interionic structure of the methyl-acetonitrile complexes [Pd((R,S)-Bn-Box)(CH3)(NCCH3)](X) (8) in solution, was investigated by pulsed-gradient spin-echo (PGSE) diffusion measurements and (H-1, F-19)-HOESY NMR spectroscopy. A high degree of ion-pairing was found in each complex. The HOESY spectra showed that the BF4- and PF6- anions take up selective positions, on the side of the complex remote from the benzyl groups, but close to the acetonitrile ligand, while the triflate is, partially, occupying a pseudo fifth coordination position on the side of the cation remote from the two benzyl-groups. The complexes 8 and 10 were used as catalyst precursors for the copolymerisation of styrene with carbon monoxide, producing syndiotactic copolymers, with the exception of complex 10a, that led to isotactic copolymers. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.01.063

文献信息

• Palladium complexes with meso-bioxazoline ligands for alternating styrene/CO copolymerisation: Counterion effect
  作者：Doina Sirbu、Giambattista Consiglio、Barbara Milani、P.G. Anil Kumar、Paul S. Pregosin、Sebastian Gischig

  DOI：10.1016/j.jorganchem.2005.01.063

  日期：2005.4

  Two sets of mono- and dicationic palladium complexes (8) and (10), having CF3SO3-, BF4- and PF6- as counterions, were synthesised. The interionic structure of the methyl-acetonitrile complexes [Pd((R,S)-Bn-Box)(CH3)(NCCH3)](X) (8) in solution, was investigated by pulsed-gradient spin-echo (PGSE) diffusion measurements and (H-1, F-19)-HOESY NMR spectroscopy. A high degree of ion-pairing was found in each complex. The HOESY spectra showed that the BF4- and PF6- anions take up selective positions, on the side of the complex remote from the benzyl groups, but close to the acetonitrile ligand, while the triflate is, partially, occupying a pseudo fifth coordination position on the side of the cation remote from the two benzyl-groups. The complexes 8 and 10 were used as catalyst precursors for the copolymerisation of styrene with carbon monoxide, producing syndiotactic copolymers, with the exception of complex 10a, that led to isotactic copolymers. (c) 2005 Elsevier B.V. All rights reserved.
• Sirbu, Doina; Consiglio, Giambattista; Milani, Barbara, Journal of Organometallic Chemistry, 2005, vol. 690, p. 2254 - 2262
  作者：Sirbu, Doina、Consiglio, Giambattista、Milani, Barbara、Kumar, P. G. Anil、Pregosin, Paul S.、Gischig, Sebastian

  DOI：——

  日期：——