2-ethyliminemethylpyrrole | 15191-66-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-ethyliminemethylpyrrole
• 英文别名: N-(2-pyrrolidene)-ethylamine；N-ethyl-1-(1H-pyrrol-2-yl)methanimine
• CAS: 15191-66-9
• 化学式: C₇H₁₀N₂
• 分子量: 122.17
• InChiKey: XIEFLMRAESTBGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  28.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-ethyliminemethylpyrrole 、 bis(bis(trimethylsilyl)amido)tin(II) 以 正己烷 为溶剂， 反应 3.0h， 以64%的产率得到[Sn{κ²-N,N′-NC₄H₃C(H)NEt}₂]
  参考文献：
  名称：

  Sn（ii）吡咯化物配合物的合成，表征和热性能†

  摘要：

  SnO是稳定的p型半导体材料的稀有例子。在这里，我们描述了Sn（II）吡咯化物配合物家族的合成和表征，以供将来在含锡薄膜的MOCVD和ALD中应用。Sn（II）酰胺配合物[{（Me 3 Si）2 N} 2 Sn]与N，N齿状吡咯原配体L 1 H的反应形成杂配和均配的配合物[{L 1 } Sn {N（SiMe 3）2 }]（1）和[{L 1 } 2Sn]（2）分别带有2-二甲基氨基甲基-吡咯化物配体（L 1）。[{（Me 3 Si）2 N）} 2 Sn]与吡咯-醛亚胺原配体L 2 H–L 7 H的反应导致纯均双吡咯化物配合物[{L 2– 7 } 2 Sn]（3–8）。所有配合物均已通过元素分析和NMR光谱表征，配合物1-5和8的分子结构通过单晶X射线衍射确定。TG分析和等温TG分析已用于评估这些系统作为MOCVD和ALD前体的潜在效用。

  DOI：

  10.1039/c8dt00490k
• 作为产物：
  描述：

  2-吡咯甲醛 、 乙胺 在 溶剂黄146 作用下， 以 水 为溶剂， 以70%的产率得到2-ethyliminemethylpyrrole
  参考文献：
  名称：

  Mixed-ligand iminopyrrolato-salicylaldiminato group 4 metal complexes: Optimising catalyst structure for ethylene/propylene copolymerisations

  摘要：

  Treatment of MCl3(OC6H3-2-'Bu-6-CH=NC6F5)(THF) (M = Ti, Zr) with a variety of different potassium iminopyrrolate salts (K+[RN=CHC4H3N](-)), (R = phenyl, cyclo-hexyl, ethyl) afforded the corresponding titanium and zirconium mixed-ligand complexes MCl2(N-O)(N-N). The molecular structures of TiCl2(OC6H3-2-'Bu-6-CH=NC6F5)(C2H5N=CHC4H3N) (1c), TiCl2(OC6H3-2-'Bu-6-CH=NC6F5)(C6H11N=CHC4H3N) (1b) and ZrCl2(OC6H3-2-'Bu-6-CH=NC6F5)(C6H11N=CHC4H3N) (2b) show distorted octahedral geometries with trans-O-,N-/cis-Cl-2 arrangements. On activation with MAO the titanium (iminopyrrolato)(salicylaldiminato) complexes show excellent activities in ethylene polymerisation and are significantly more effective ethylene/propylene copolymerisation catalysts, both in terms of activity and propene incorporation, than either of the parent complexes. The ethylene-propylene copolymers show ca. 80% 1,2 regioselectivity and at high propylene incorporation tend towards an alternating structure. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.04.047

文献信息

• Pyrrolide-imine benzyl complexes of zirconium and hafnium: synthesis, structures, and efficient ethylene polymerization catalysis
  作者：Shigekazu Matsui、Yasunori Yoshida、Yukihiro Takagi、Thomas P. Spaniol、Jun Okuda

  DOI：10.1016/j.jorganchem.2003.11.041

  日期：2004.4

  nitrogen (isopropyl: 3a, 4-tert-butylcyclohexyl: 4a and 4b) suggest that rapid racemization between Δ and Λ configurations occurs in solution on the NMR time scale. The complexes with pyrrolide-imine ligands with a tertiary alkyl group such as tert-butyl (5a and 5b) or 1-adamantyl (6a and 6b) at the imine nitrogen possess cis-configured benzyl groups. Hafnium complexes 5a and 6a react with B(C6F5)3 in

  通过吡咯-2-羧基醛与不同的胺缩合制备一系列的吡咯基亚胺HL 1-6。2当量的吡咯基亚胺与ha和锆的四苄基配合物M（CH 2 Ph）4（M = Hf或Zr）反应生成二苄基配合物（L 3-6）2 M（CH 2 Ph）2，它们是通过NMR光谱和晶体结构分析进行表征。亚胺氮原子上具有仲烷基取代基的配合物的NMR光谱（异丙基：3a，4-叔丁基环己基：4a和4b））表明在NMR时间尺度上，溶液中发生了Δ和Λ构型之间的快速消旋作用。在亚胺氮上具有带有叔烷基如叔丁基（5a和5b）或1-金刚烷基（6a和6b）的吡咯亚胺亚胺配体的配合物具有顺式构型的苄基。complex络合物5a和6a与溴苯-d 5中的B（C 6 F 5）3反应，得到相应的阳离子苄基络合物，对乙烯聚合反应具有很高的活性（5a：2242 kg聚合物/ mol-Hf h bar，6a：2096kg聚合物/ mol-Hf h bar）。当用甲基铝
• Study on thermodynamic property of pyrrolylaldiminate dialkyl-aluminum (Methyl- and Ethyl- substituted) complexes
  作者：Ruiyuan Liu、Shuyan Yang、Yuqiang Ding、Dasha Xia

  DOI：10.1016/j.jorganchem.2021.122192

  日期：2022.1

  Pyrrolylaldiminate dialkyl-aluminum (methyl- and ethyl- substituted) complexes with different substituents were prepared and characterized. Single-crystal X-ray diffraction proved that compound 2A [(PyrImEt)AlMe2] is a monomer with a planar five-membered ring structure. The optimized structure of density functional theory (DFT) shows that compound 5A [(PyrImcPr)AlMe2] and compound 6A [(PyrImiPr)AlMe2]

  制备并表征了具有不同取代基的吡咯基醛基二烷基铝（甲基和乙基取代）配合物。单晶X射线衍射证明化合物2A [(PyrIm Et )AlMe 2 ]是具有平面五元环结构的单体。密度泛函理论（DFT）的优化结构表明，化合物5A [(PyrIm cPr )AlMe 2 ] 和化合物6A [(PyrIm iPr )AlMe 2] 是单体和平面五元环结构。Pyrrolylaldiminate二烷基铝配合物具有荧光性质，符合刚性平面配合物的特性。基于吡咯醛亚胺二烷基铝配合物的单体和平面结构，我们从热重（TGA）、差示扫描量热仪（DSC）和InP-T -1 等方面进一步研究了配合物的热力学性质（蒸汽压力-温度函数）。TGA和DSC结果表明，具有平面结构的吡咯醛二胺二烷基铝配合物具有良好的热稳定性。通过控制取代基的链长，可以制备出低熔点的二甲基铝配合物。根据蒸气压-温度函数研究了取代基对配合物挥发的影响。总体而言，小分子量配合物在
• New Titanium Complexes Having Two Pyrrolide−Imine Chelate Ligands:  Syntheses, Structures, and Ethylene Polymerization Behavior
  作者：Yasunori Yoshida、Shigekazu Matsui、Yukihiro Takagi、Makoto Mitani、Takashi Nakano、Hidetsugu Tanaka、Norio Kashiwa、Terunori Fujita

  DOI：10.1021/om010468q

  日期：2001.11.1

  New titanium complexes 1-4 having two nonsymmetric bidentate pyrrolide-imine chelate ligands, [2-(RNCH)C4H3N](2)TiCl2 (1, R = Ph; 2, R = Et; 3, R = n-hexyl; 4, R = cyclohexyl), are prepared in good yields from the lithium salt of the corresponding ligands and TiCl4. Complex I is suggested by DFT calculations to adopt a distorted-octahedral structure in which the two pyrrolide-N atoms are situated in trans positions, while the two imine-N atoms and the two Cl atoms are located cis to one another. The spatial disposition elucidated by X-ray crystallographic analysis of complex 1 is consistent with the preferred structure predicted by DFT calculations. The molecular structures of complexes 2 and 4 established by X-ray analyses are very similar to that of complex 1. DFT calculations suggest that an active species derived from complex 1, for ethylene polymerization, possesses cis-located active sites trans to the imine-N atoms. These complexes were investigated as ethylene polymerization catalysts. Using methylalumoxane (MAO) as a cocatalyst, these complexes display very high activities and produce high-molecular-weight polyethylenes. Among them, complex 4 exhibits the highest activity (14 100 kg of polymer/((mol of Ti) h) comparable to that of Cp2TiCl2 with a very high molecular weight (M-v) value of 2 601 000. Alternatively, using Ph3CB(C6F5)(4)/i-Bu3Al as a cocatalyst, these complexes produce ultrahigh-molecular-weight polyethylenes (M-v > 4 000 000) with high activities (1500-2000 kg of polymer/((mol of Ti)/h).
• [EN] HETEROLEPTIC (ALLYL)(PYRROLES-2-ALDIMINATE) METAL-CONTAINING PRECURSORS, THEIR SYNTHESIS AND VAPOR DEPOSITION THEREOF TO DEPOSIT METAL-CONTAINING FILMS<br/>[FR] PRÉCURSEURS HÉTÉROLEPTIQUES DE TYPE (ALLYL)(PYRROLES-2-ALDIMINATE) CONTENANT UN MÉTAL, LEUR SYNTHÈSE ET DÉPÔT EN PHASE VAPEUR DE CEUX-CI POUR DÉPOSER DES FILMS CONTENANT DU MÉTAL
  申请人：AIR LIQUIDE

  公开号：WO2013015947A3

  公开（公告）日：2013-03-14