(2R,3R)-3-tert-butyl-2-[(2R,3R)-3-tert-butyl-4-methyl-2H-1,3-benzoxaphosphol-2-yl]-4-methyl-2H-1,3-benzoxaphosphole | 1610785-38-0

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: (2R,3R)-3-tert-butyl-2-[(2R,3R)-3-tert-butyl-4-methyl-2H-1,3-benzoxaphosphol-2-yl]-4-methyl-2H-1,3-benzoxaphosphole
• CAS: 1610785-38-0
• 化学式: C₂₄H₃₂O₂P₂
• 分子量: 414.464
• InChiKey: MSKAQMATHZZCEP-TUJIQRHUSA-N

物化性质

• 沸点：
  527.4±50.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.25
• 重原子数：
  28.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 (2R,3R)-3-tert-butyl-2-[(2R,3R)-3-tert-butyl-4-methyl-2H-1,3-benzoxaphosphol-2-yl]-4-methyl-2H-1,3-benzoxaphosphole 以 乙醇 、 二氯甲烷 为溶剂， 反应 0.5h， 以88%的产率得到RuCl₂[(2R,2’R,3S,3’S)-Me-bisdihydrobenzooxaphosphole](p-cymene)
  参考文献：
  名称：

  胺可调谐的钌催化剂，用于酮的不对称还原

  摘要：

  AbstractA series of efficient ruthenium catalysts has been developed for the asymmetric hydrogenation and transfer hydrogenation of ketones with high reactivities and selectivities. The new chiral bisdihydrobenzooxaphosphole (BIBOP)/diamine‐ruthenium complexes catalyzed the enantioselective hydrogenation of substrates such as aryl and heteroaryl cyclic and alkyl ketones with substrate/catalyst (S/C) ratios of up to 100,000. The opposite sense of enantioselectivity can be obtained by proper selection of a diamine with a given chirality of the phosphine. The usefulness of the new system has been demonstrated in the asymmetric hydrogenation of a complex synthetic intermediate towards cholesteryl ester transfer protein (CETP) inhibitors at S/C 20,000 on large‐scale operation.magnified image

  DOI：

  10.1002/adsc.201300727