(3aS)-1-[2-(3,5-dimethylphenyl)phenoxy]-2-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphole | 1012370-60-3

• 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: (3aS)-1-[2-(3,5-dimethylphenyl)phenoxy]-2-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphole
• CAS: 1012370-60-3
• 化学式: C₂₅H₂₇N₂OP
• 分子量: 402.476
• InChiKey: COLDAMQDRAGZDJ-QASNXKAYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  15.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(3,5-dimethylphenyl)phenol 、 (2R,5S)-2-dimethylamino-3-phenyl-1,3-diazaphosphabicyclo[3.3.0^1,5]octane 以 甲苯 为溶剂， 反应 3.0h， 以90%的产率得到(3aS)-1-[2-(3,5-dimethylphenyl)phenoxy]-2-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphole
  参考文献：
  名称：

  Looking for a Synergic Effect between NHCs and Chiral P-Ligands

  摘要：

  The issue of the added value of NHCs in asymmetric catalysis with respect to trusted chiral P-ligands was addressed: considering a prototypical asymmetric allylic alkylation reaction as a model, the association of a priori inhibiting and achiral NHCs with modular P-ligand resulted in enhancement of er up to 508% and increased rates.

  DOI：

  10.1021/ol800225t
• 作为试剂：
  描述：

  1,3-二苯基-2-丙烯基乙酸酯 、 丙二酸二甲酯 在 正丁基锂 、 N,O-双三甲硅基乙酰胺 、 bis(η3-allyl-μ-chloropalladium(II)) 、 (3aS)-1-[2-(3,5-dimethylphenyl)phenoxy]-2-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphole 、 sodium acetate 、 1,3-dimesitylimidazolium tetrafluoroborate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 以84%的产率得到(S)-dimethyl 2-(1,3-diphenylallyl)malonate
  参考文献：
  名称：

  Looking for a Synergic Effect between NHCs and Chiral P-Ligands

  摘要：

  The issue of the added value of NHCs in asymmetric catalysis with respect to trusted chiral P-ligands was addressed: considering a prototypical asymmetric allylic alkylation reaction as a model, the association of a priori inhibiting and achiral NHCs with modular P-ligand resulted in enhancement of er up to 508% and increased rates.

  DOI：

  10.1021/ol800225t

文献信息

• Looking for a Synergic Effect between NHCs and Chiral P-Ligands
  作者：Nicolas Toselli、David Martin、Gérard Buono

  DOI：10.1021/ol800225t

  日期：2008.4.1

  The issue of the added value of NHCs in asymmetric catalysis with respect to trusted chiral P-ligands was addressed: considering a prototypical asymmetric allylic alkylation reaction as a model, the association of a priori inhibiting and achiral NHCs with modular P-ligand resulted in enhancement of er up to 508% and increased rates.