2-(2,3,4,5-tetramethylcyclopentadienyl)ethylamine hydrochloride | 1224452-50-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(2,3,4,5-tetramethylcyclopentadienyl)ethylamine hydrochloride
• CAS: 1224452-50-9
• 化学式: C₁₁H₁₉N*ClH
• 分子量: 201.739
• InChiKey: BLTTVBHTVWEJGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.06
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  26.02
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  rhodium(III) chloride trihydrate 、 2-(2,3,4,5-tetramethylcyclopentadienyl)ethylamine hydrochloride 以 甲醇 为溶剂， 反应 96.0h， 以85%的产率得到
  参考文献：
  名称：

  A Dual Anchoring Strategy for the Localization and Activation of Artificial Metalloenzymes Based on the Biotin–Streptavidin Technology

  摘要：

  Artificial metalloenzymes result from anchoring an active catalyst within a protein environment. Toward this goal, various localization strategies have been pursued: covalent, supramolecular, or dative anchoring. Herein we show that introduction of a suitably positioned histidine residue contributes to firmly anchor, via a dative bond, a biotinylated rhodium piano stool complex within streptavidin. The in silico design of the artificial metalloenzyme was confirmed by X-ray crystallography. The resulting artificial metalloenzyme displays significantly improved catalytic performance, both in terms of activity and selectivity in the transfer hydrogenation of imines. Depending on the position of the histidine residue, both enantiomers of the salsolidine product can be obtained.

  DOI：

  10.1021/ja309974s
• 作为产物：
  描述：

  tert-butyl N-(3-but-2-en-2-yl-3-hydroxy-4-methylhex-4-enyl)carbamate 在 盐酸 作用下， 以 乙醚 为溶剂， 生成 2-(2,3,4,5-tetramethylcyclopentadienyl)ethylamine hydrochloride
  参考文献：
  名称：

  Synthesis and Structure of Protic Amine Tethered Rhodium(III) Peralkylcyclopentadienyl Complexes

  摘要：

  A series of mononuclear tethered complexes, Rh(III)-(eta(5):eta(1)-Cp'-NHR), in which the eta(5)-peralkylcyclopentadienyl group and the ligated protic amine group are connected by suitable carbon chains, were newly prepared and structurally characterized. Their catalytic performance in the reductive amination of carbonyl compounds was significantly influenced by the chain length of the tether, which possibly plays a key role in determining the reaction course.

  DOI：

  10.1021/om100151m

文献信息

• Modulating the water oxidation catalytic activity of iridium complexes by functionalizing the Cp*-ancillary ligand: hints on the nature of the active species
  作者：Giordano Gatto、Alice De Palo、Ana C. Carrasco、Ana M. Pizarro、Stefano Zacchini、Guido Pampaloni、Fabio Marchetti、Alceo Macchioni

  DOI：10.1039/d0cy02306j

  日期：——

  A comparative study on the behavior of a series of iridium dimeric WOCs with modified Cp* ligands reveals the key role played by the variable substituent.

  一项关于一系列具有改性Cp*配体的铱二聚WOCs行为的比较研究揭示了可变取代基发挥的关键作用。