N,N′(ethyl-tert-butyl-formamidine) | 728949-27-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N′(ethyl-tert-butyl-formamidine)
• 英文别名: N-tert-butyl-N'-ethylmethanimidamide
• CAS: 728949-27-7
• 化学式: C₇H₁₆N₂
• mdl: MFCD19227269
• 分子量: 128.217
• InChiKey: USGSTHPBDSJKHZ-UHFFFAOYSA-N

物化性质

• 沸点：
  164.5±23.0 °C(Predicted)
• 密度：
  0.82±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  pentamethylcyclopentadienylzirconium(IV) trichloride 、 N,N′(ethyl-tert-butyl-formamidine) 在 n-BuLi 作用下， 以 乙醚 、 正己烷 为溶剂， 以73%的产率得到(η5-C5Me5)ZrCl2[N(t-Bu)CHN(Et)]
  参考文献：
  名称：

  Goldilocks Effect of a Distal Substituent on Living Ziegler−Natta Polymerization Activity and Stereoselectivity within a Class of Zirconium Amidinate-Based Initiators

  摘要：

  A new series of cationic zirconium amidinates, [(eta(5)-C5Me5)ZrMe{N(Et)C(R-3)N(Bu-t)}]- [B(C6F5)(4)] (R-3 = Me, H, Ph, and Bu-t) (1a-d), were synthesized and their ability to function as initiators for the stereoselective living Ziegler-Natta polymerization of 1-hexene evaluated. Whereas la is highly active for the isospecific living polymerization of 1-hexene as previously reported, polymerizations conducted with 1b and 1c both display a significant loss of stereocontrol, and in the case of 1b, the polymerization is no longer living. Further, 1d was found to be inactive for polymerization. The Golidlocks effect observed for the distal R3 substituent in this series, i.e., 1b "too small", 1c "too large", 1a "just right", appears to be steric in origin. Solution and solid state structural studies suggest, however, that two different mechanisms are most likely operative for the loss of stereocontrol observed for 1b and 1c: a low barrier to metal-centered epimerization in the case of 1b and a lack of steric discrimination at the metal center for olefin binding in the case of 1c.

  DOI：

  10.1021/om049835z

文献信息

• A study on the influence of ligand variation on formamidinate complexes of yttrium: new precursors for atomic layer deposition of yttrium oxide
  作者：Sebastian M. J. Beer、Nils Boysen、Arbresha Muriqi、David Zanders、Thomas Berning、Detlef Rogalla、Claudia Bock、Michael Nolan、Anjana Devi

  DOI：10.1039/d1dt01634b

  日期：——

  The synthesis and characterization of a series of closely related Y(III) compounds comprising the formamidinate ligands (RNCHNR) (R = alkyl) is reported, with the scope of using them as prospective precursors for atomic layer deposition (ALD) of yttrium oxide (Y2O3) thin films. The influence of the side chain variation on the thermal properties of the resulting complexes is studied and benchmarked

  报道了一系列包含甲脒配体 (RNCHNR) (R = 烷基)的密切相关的 Y( III ) 化合物的合成和表征，其范围是将它们用作氧化钇原子层沉积 (ALD) 的预期前体。 Y 2 O 3 ) 薄膜。通过热分析和蒸气压测量研究侧链变化对所得复合物的热性质的影响并作为基准。密度泛函理论（DFT）的研究得到的理论见解对水的化合物的反应性，这是针对作为共反应物为Y的沉积2 ö 3 经由下一步进行热 ALD。在分析的四种配合物中，三( N , N '-二叔丁基甲脒)钇( III ) [Y( t Bu 2 -famd) 3 ] 1被发现具有增强的热稳定性并被选择用于Y 2 O 3 ALD 工艺开发。获得了从 200°C 到 325°C 的广泛 ALD 窗口，产生了高成分质量的薄膜。此外，薄膜密度为 (4.95 ± 0.05) g cm -1接近体积值，多晶fcc Y 2 O 3 当在金属绝缘体半导体