Fe(N,N'-diphenyl-1,2-ethylenediamine)(1,2-bis(dicyclohexylphosphino)ethane) | 1365973-57-4

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: Fe(N,N'-diphenyl-1,2-ethylenediamine)(1,2-bis(dicyclohexylphosphino)ethane)
• 英文别名: Fe((PhNCH2)2)(DCPE)
• CAS: 1365973-57-4
• 化学式: C₄₀H₆₂FeN₂P₂
• 分子量: 688.74
• InChiKey: JWJAOWHBTMBCJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  [FeCl₂(1,2-bis(dicyclohexylphosphino)ethane)] 、 双(三甲基硅烷基)氨基钾 、 1,4-二叠氮双环[2.2.2]辛烷 以 四氢呋喃 为溶剂， 生成 Fe(N,N'-diphenyl-1,2-ethylenediamine)(1,2-bis(dicyclohexylphosphino)ethane)
  参考文献：
  名称：

  Iron Complex-Catalyzed Ammonia–Borane Dehydrogenation. A Potential Route toward B–N-Containing Polymer Motifs Using Earth-Abundant Metal Catalysts

  摘要：

  Ammonia-borane (NH3BH3, AB) has garnered interest as a hydrogen storage material due to its high weight percent hydrogen content and ease of H-2 release relative to metal hydrides. As a consequence of dehydrogenation, B-N-containing oligomeric/polymeric materials are formed. The ability to control this process and dictate the identity of the generated polymer opens up the possibility of the targeted synthesis of new materials. While precious metals have been used in this regard, the ability to construct such materials using earth-abundant metals such as Fe presents a more economical approach. Four Fe complexes containing amido and phosphine supporting ligands were synthesized, and their reactivity with AB was examined. Three-coordinate Fe(PCy3)[N(SiMe3)(2)](2) (1) and four-coordinate Fe(DEPE)[N(SiMe3)(2)](2) (2) yield a mixture of (NH2BH2) and (NHBH)(n) products with up to 1.7 equiv of H-2 released per AB but cannot be recycled (DEPE = 1,2-bis(diethylphosphino)ethane). In contrast, Fe supported by a bidentate P-N ligand (4) can be used in a second cycle to afford a similar product mixture. Intriguingly, the symmetric analogue of 4 (Fe(N-N)(P-P), 3), only generates (NH2BH2) and does so in minutes at room temperature. This marked difference in reactivity may be the result of the chemistry of Fe(II) vs Fe(0).

  DOI：

  10.1021/ja210542r
• 作为试剂：
  描述：

  二甲胺基甲硼烷 在 Fe(N,N'-diphenyl-1,2-ethylenediamine)(1,2-bis(dicyclohexylphosphino)ethane) 作用下， 以 乙二醇二甲醚 为溶剂， 生成 tetramethyl-1,3-diborazane 、 N-二甲基氨基硼烷基-N-甲基甲胺 、 cyclic(dimethylamino borane) dimer
  参考文献：
  名称：

  Iron Complex-Catalyzed Ammonia–Borane Dehydrogenation. A Potential Route toward B–N-Containing Polymer Motifs Using Earth-Abundant Metal Catalysts

  摘要：

  Ammonia-borane (NH3BH3, AB) has garnered interest as a hydrogen storage material due to its high weight percent hydrogen content and ease of H-2 release relative to metal hydrides. As a consequence of dehydrogenation, B-N-containing oligomeric/polymeric materials are formed. The ability to control this process and dictate the identity of the generated polymer opens up the possibility of the targeted synthesis of new materials. While precious metals have been used in this regard, the ability to construct such materials using earth-abundant metals such as Fe presents a more economical approach. Four Fe complexes containing amido and phosphine supporting ligands were synthesized, and their reactivity with AB was examined. Three-coordinate Fe(PCy3)[N(SiMe3)(2)](2) (1) and four-coordinate Fe(DEPE)[N(SiMe3)(2)](2) (2) yield a mixture of (NH2BH2) and (NHBH)(n) products with up to 1.7 equiv of H-2 released per AB but cannot be recycled (DEPE = 1,2-bis(diethylphosphino)ethane). In contrast, Fe supported by a bidentate P-N ligand (4) can be used in a second cycle to afford a similar product mixture. Intriguingly, the symmetric analogue of 4 (Fe(N-N)(P-P), 3), only generates (NH2BH2) and does so in minutes at room temperature. This marked difference in reactivity may be the result of the chemistry of Fe(II) vs Fe(0).

  DOI：

  10.1021/ja210542r