Acetic acid (1R,2R)-2-acetoxy-1,2-bis-{(S)-1-[(diphenylphosphanyl)-methyl]-2-methyl-propylcarbamoyl}-ethyl ester | 263024-64-2

• 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: Acetic acid (1R,2R)-2-acetoxy-1,2-bis-{(S)-1-[(diphenylphosphanyl)-methyl]-2-methyl-propylcarbamoyl}-ethyl ester
• 英文别名: [(2R,3R)-3-acetyloxy-1,4-bis[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1,4-dioxobutan-2-yl] acetate
• CAS: 263024-64-2
• 化学式: C₄₂H₅₀N₂O₆P₂
• 分子量: 740.816
• InChiKey: MYDDKQYMACSIIZ-JUFVCXMFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  52.0
• 可旋转键数：
  17.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  110.8
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Acetic acid (1R,2R)-2-acetoxy-1,2-bis-{(S)-1-[(diphenylphosphanyl)-methyl]-2-methyl-propylcarbamoyl}-ethyl ester 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以95%的产率得到(2R,3R)-N,N'-bis[(1'S)-1'-(diphenylphosphinomethyl)-2'-methyl-propyl]-2,3-dihydroxy-succinediamide
  参考文献：
  名称：

  Synthesis of Heterofunctionalized Multidentate Diphosphines

  摘要：

  The synthesis of new chiral multidentate amino- and amidophosphine ligands bearing up to six potential coordination sites were synthesized starting from L-valine. Based on these compounds chiral Ru(II) complexes were prepared, characterized and tested in the asymmetric transfer hydrogenation of aryl-alkyl ketones. In all cases investigated the catalyst bearing additional hydroxy groups gave lower conversions than the complex without hydroxy groups. Highest enantioselectivity was achieved with isobutyrophenone as substrate (69%ee). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)01075-3
• 作为产物：
  描述：

  N-Boc-L-缬氨醇 在 吡啶 、 氢溴酸 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 、 溶剂黄146 为溶剂， 反应 18.0h， 生成 Acetic acid (1R,2R)-2-acetoxy-1,2-bis-{(S)-1-[(diphenylphosphanyl)-methyl]-2-methyl-propylcarbamoyl}-ethyl ester
  参考文献：
  名称：

  Synthesis of Heterofunctionalized Multidentate Diphosphines

  摘要：

  The synthesis of new chiral multidentate amino- and amidophosphine ligands bearing up to six potential coordination sites were synthesized starting from L-valine. Based on these compounds chiral Ru(II) complexes were prepared, characterized and tested in the asymmetric transfer hydrogenation of aryl-alkyl ketones. In all cases investigated the catalyst bearing additional hydroxy groups gave lower conversions than the complex without hydroxy groups. Highest enantioselectivity was achieved with isobutyrophenone as substrate (69%ee). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)01075-3