(1R,2R)-N-[(2-diphenylphosphanylphenyl)methyl]-N'-[(2-methylphenyl)methyl]-1,2-diphenylethane-1,2-diamine

• 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: (1R,2R)-N-[(2-diphenylphosphanylphenyl)methyl]-N'-[(2-methylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
• 化学式: C₄₁H₃₉N₂P
• 分子量: 590.7
• InChiKey: LIFQCTMGUCDBPF-GYOJGHLZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  44
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• IRON(II) CATALYSTS CONTAINING DIIMINO-DIPHOSPHINE TETRADENTATE LIGANDS AND THEIR SYNTHESIS
  申请人：THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO

  公开号：US20140243543A1

  公开（公告）日：2014-08-28

  New hexa-coordinate iron (II) complexes comprising compounds of formula (I) are described. These compounds comprise a tetradentate ligand with donor atoms comprising nitrogen and phosphorus. These complexes are shown for the first time to be useful catalysts for the hydrogenation of ketones, aldehydes, or imines to produce alcohols or amines, and the asymmetric hydrogenation of prochiral ketones or imines to produce non-racemic alcohols or amines. The source of the hydrogen can be hydrogen gas or a hydrogen-donating molecule such as isopropanol or hydrogen-donating mixture such as formic acid and an amine depending on the structure of the catalyst. In certain embodiments, the axial ligands on the catalyst comprise organonitrile ligands, carbonyl ligands, isonitrile ligands, or combinations thereof. The catalysts and the preparation thereof are disclosed. A reaction using phosphine and diamine precursors that is templated by the iron ion is the preferred route to the catalysts.

  本文描述了一种由化合物I的配合物组成的新型六配位铁（II）配合物。这些化合物包括一个四齿配体，其给体原子包括氮和磷。这些配合物首次被证明是用于催化酮、醛或亚胺的加氢反应，以产生醇或胺，以及手性加氢反应，用于产生非外消旋醇或胺的有用催化剂。氢源可以是氢气或氢供体分子，例如异丙醇或氢供体混合物，例如甲酸和胺，具体取决于催化剂的结构。在某些实施例中，催化剂上的轴向配体包括有机腈配体、羰基配体、异腈配体或其组合。本文还公开了催化剂及其制备方法。一种使用膦和二胺前体的反应，以铁离子为模板的路线是制备催化剂的首选路线。