1,3-bis<(4S)-4-isopropyl-2-oxazolin-2-yl>propane | 131380-90-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 1,3-bis<(4S)-4-isopropyl-2-oxazolin-2-yl>propane
• 英文别名: 1,3-bis((S)-4-isopropyl-2-oxazolinyl)propane；1,3-bis[(S)-4-isopropyl-2-oxazolinyl]propane；1,3-bis[(4S)-4-isopropyl-2-oxazolin-2-yl]propane；(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4,5-dihydro-1,3-oxazole
• CAS: 131380-90-0
• 化学式: C₁₅H₂₆N₂O₂
• 分子量: 266.384
• InChiKey: GNMXFLQRUUJKAM-CHWSQXEVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.06
• 重原子数：
  19.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  43.18
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  bis(benzonitrile)palladium(II) chloride 、 1,3-bis<(4S)-4-isopropyl-2-oxazolin-2-yl>propane 以 四氢呋喃 为溶剂， 以84%的产率得到[PdCl₂(1,3-bis[(S)-4-isopropyl-2-oxazolinyl]propane)]2
  参考文献：
  名称：

  Palladium and rhodium complexes containing 1,3-bis(oxazolinyl)propyl (Probox) ligands: Macrocycles and pincer compounds

  摘要：

  New chiral 1,3-bis(4R-phenyl-2-oxazolinyl)propane (Probox(Ph)) and achiral 1,3-bis(4,4-dimethyl-2-oxazolinyl)propane (Probox(Me2)) ligands have been prepared by Cd(OAc)(2)-catalyzed condensation reactions. These ligands, and the known isopropyl derivative Probox(iPr), react with [PdCl2(NCPh)(2)] and [RhCl(eta(2)-C8H14)(2)](2) to form 16-membered bimetallic macrocycles. Additionally, Probox(Me2) and RhCl3 react to form a new monoanionic NCN-type pincer complex (kappa(3)-N,C,N-Probox(Me2))RhCl2. The structures of new palladium and rhodium macrocycles with the Probox ligands are confirmed by X-ray crystallography, and natural abundance N-15 2D NMR experiments prove oxazoline coordination to the metal centers in Solution. Addition of a weakly donating water ligand to (kappa(3)-N,C,N-Probox(Me2))RhCl2 gives a six-coordinate compound with a mer-Probox configuration, whereas PMe3 coordination provides a single fac coordinated Probox isomer. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.06.072
• 作为产物：
  描述：

  L-缬氨醇 、 戊二腈 在 cadmium(II) acetate dihydrate 作用下， 以 氯苯 为溶剂， 反应 144.0h， 以64%的产率得到1,3-bis<(4S)-4-isopropyl-2-oxazolin-2-yl>propane
  参考文献：
  名称：

  Palladium and rhodium complexes containing 1,3-bis(oxazolinyl)propyl (Probox) ligands: Macrocycles and pincer compounds

  摘要：

  New chiral 1,3-bis(4R-phenyl-2-oxazolinyl)propane (Probox(Ph)) and achiral 1,3-bis(4,4-dimethyl-2-oxazolinyl)propane (Probox(Me2)) ligands have been prepared by Cd(OAc)(2)-catalyzed condensation reactions. These ligands, and the known isopropyl derivative Probox(iPr), react with [PdCl2(NCPh)(2)] and [RhCl(eta(2)-C8H14)(2)](2) to form 16-membered bimetallic macrocycles. Additionally, Probox(Me2) and RhCl3 react to form a new monoanionic NCN-type pincer complex (kappa(3)-N,C,N-Probox(Me2))RhCl2. The structures of new palladium and rhodium macrocycles with the Probox ligands are confirmed by X-ray crystallography, and natural abundance N-15 2D NMR experiments prove oxazoline coordination to the metal centers in Solution. Addition of a weakly donating water ligand to (kappa(3)-N,C,N-Probox(Me2))RhCl2 gives a six-coordinate compound with a mer-Probox configuration, whereas PMe3 coordination provides a single fac coordinated Probox isomer. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.06.072

文献信息

• Bolm, Carsten; Weickhardt, Konrad; Zehnder, Margareta, Chemische Berichte, 1991, vol. 124, # 5, p. 1173 - 1180
  作者：Bolm, Carsten、Weickhardt, Konrad、Zehnder, Margareta、Ranff, Tobias

  DOI：——

  日期：——
• BOLM, CARSTEN;WEICKHARDT, KONRAD;ZEHNDER, MARGARETA;RANFF, TOBIAS, CHEM. BER., 124,(1991) N, C. 1173-1180
  作者：BOLM, CARSTEN、WEICKHARDT, KONRAD、ZEHNDER, MARGARETA、RANFF, TOBIAS

  DOI：——

  日期：——