[FeCl₂(1,2-bis(dicyclohexylphosphino)ethane)] | 209795-18-6

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: [FeCl₂(1,2-bis(dicyclohexylphosphino)ethane)]
• 英文别名: [FeCl₂(dcpe)]；FeCl2(1,2-bis(dicyclohexylphosphino)ethane)；FeCl2(DCPE)；Dichloroiron;dicyclohexyl(2-dicyclohexylphosphanylethyl)phosphane
• CAS: 209795-18-6
• 化学式: C₂₆H₄₈Cl₂FeP₂
• 分子量: 549.368
• InChiKey: ADGFHJAPKITZPL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  10.66
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  [FeCl₂(1,2-bis(dicyclohexylphosphino)ethane)] 、 (cyclopentyl)7Si7O9(OH)2OSi(CH3)3 在 Et₃N 作用下， 以 苯 为溶剂， 以88.9%的产率得到
  参考文献：
  名称：

  Synthesis and Characterization of Iron Silasesquioxane Phosphane Complexes

  摘要：

  DOI：

  10.1002/1521-3773(20000901)39:17<3127::aid-anie3127>3.0.co;2-f
• 作为试剂：
  描述：

  氯丁烷 、 Li[B₂pin₂(^tBu)] 在 [FeCl₂(1,2-bis(dicyclohexylphosphino)ethane)] 、 magnesium bromide ethyl etherate 作用下， 以 四氢呋喃 、 正庚烷 为溶剂， 反应 1.0h， 以24%的产率得到2-丁基-4,4,5,5-四甲基-1,3,2-二杂氧戊硼酸
  参考文献：
  名称：

  铁催化的烷基，烯丙基和芳基卤化物的硼酸酯化反应：铁（I）硼基络合物的分离

  摘要：

  用t BuLi激活B 2 pin 2可以通过形成Li [B 2 pin 2（t Bu）]（1）促进Fe催化的烷基，烯丙基，苄基和芳基卤化物的硼化。的反应1与代表铁膦预催化剂生成唯一铁（I）硼络合物的[Fe（BPIN）（dpbz）2 ]（2）。

  DOI：

  10.1021/om500847j

文献信息

• Iron Complex-Catalyzed Ammonia–Borane Dehydrogenation. A Potential Route toward B–N-Containing Polymer Motifs Using Earth-Abundant Metal Catalysts
  作者：R. Tom Baker、John C. Gordon、Charles W. Hamilton、Neil J. Henson、Po-Heng Lin、Steven Maguire、Muralee Murugesu、Brian L. Scott、Nathan C. Smythe

  DOI：10.1021/ja210542r

  日期：2012.3.28

  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).