| 1616980-28-9

• CAS: 1616980-28-9
• 化学式: C₃₀H₅₅FeNO₃P₂
• 分子量: 595.566
• InChiKey: ODPPOPDLSGLCCG-UHFFFAOYSA-M

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：

  在 lithium tetrafluoroborate 、 三苯基氧化膦 作用下， 以 1,4-二氧六环 为溶剂， 80.0 ℃ 、101.33 kPa 条件下， 生成
  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：

  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

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.