| 1616980-26-7

• CAS: 1616980-26-7
• 化学式: C₂₉H₅₃FeNOP₂
• 分子量: 549.54
• InChiKey: NAFIBOBLRLMAPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  甲酸 、 以 四氢呋喃 为溶剂， 反应 0.17h， 以77%的产率得到
  参考文献：
  名称：

  Lewis Acid-Assisted Formic Acid Dehydrogenation Using a Pincer-Supported Iron Catalyst

  摘要：

  Formic acid (FA) is an attractive compound for H-2 storage. Currently, the most active catalysts for FA dehydrogenation use precious metals. Here, we report a homogeneous iron catalyst that, when used with a Lewis acid (LA) co-catalyst, gives approximately 1,000,000 turnovers for FA dehydrogenation. To date, this is the highest turnover number reported for a first-row transition metal catalyst. Preliminary studies suggest that the LA assists in the decarboxylation of a key iron formate intermediate and can also be used to enhance the reverse process of CO2 hydrogenation.

  DOI：

  10.1021/ja505241x
• 作为产物：
  描述：

  在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以65%的产率得到
  参考文献：
  名称：

  Lewis Acid-Assisted Formic Acid Dehydrogenation Using a Pincer-Supported Iron Catalyst

  摘要：

  Formic acid (FA) is an attractive compound for H-2 storage. Currently, the most active catalysts for FA dehydrogenation use precious metals. Here, we report a homogeneous iron catalyst that, when used with a Lewis acid (LA) co-catalyst, gives approximately 1,000,000 turnovers for FA dehydrogenation. To date, this is the highest turnover number reported for a first-row transition metal catalyst. Preliminary studies suggest that the LA assists in the decarboxylation of a key iron formate intermediate and can also be used to enhance the reverse process of CO2 hydrogenation.

  DOI：

  10.1021/ja505241x
• 作为试剂：
  描述：

  二氧化碳 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 在 lithium tetrafluoroborate 、 C₂₉H₅₃FeNOP₂ 、 氢气 作用下， 以 四氢呋喃 为溶剂， 以82%的产率得到1,8-二氮杂二环[5.4.0]十一碳-7-烯甲酸盐
  参考文献：
  名称：

  Iron catalyzed CO₂hydrogenation to formate enhanced by Lewis acid co-catalysts

  摘要：

  铁/路易斯酸共催化剂将CO2加氢生成甲酸，对于第一行过渡金属催化剂具有前所未有的周转数。

  DOI：

  10.1039/c5sc01467k

文献信息

• Base-Free Methanol Dehydrogenation Using a Pincer-Supported Iron Compound and Lewis Acid Co-catalyst
  作者：Elizabeth A. Bielinski、Moritz Förster、Yuanyuan Zhang、Wesley H. Bernskoetter、Nilay Hazari、Max C. Holthausen

  DOI：10.1021/acscatal.5b00137

  日期：2015.4.3

  Hydrogen is an attractive alternative energy vector to fossil fuels if effective methods for its storage and release can be developed. In particular, methanol, with a gravimetric hydrogen content of 12.6%, is a promising target for chemical hydrogen storage. To date, there are relatively few homogeneous transition metal compounds that catalyze the aqueous phase dehydrogenation of methanol to release hydrogen and carbon dioxide. In general, these catalysts utilize expensive precious metals and require a strong base. This paper shows that a pincer-supported Fe compound and a co-catalytic amount of a Lewis acid are capable of catalyzing base-free aqueous phase methanol dehydrogenation with turnover numbers up to 51 000. This is the highest turnover number reported for either a first-row transition metal or a base-free system. Additionally, this paper describes preliminary mechanistic experiments to understand the reaction pathway and propose a stepwise process, which requires metal ligand cooperativity. This pathway is supported by DFT calculations and explains the role of the Lewis acid co-catalyst.