1,2-bis[(2-methylphenyl)imino]acenaphthene | 887776-99-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,2-bis[(2-methylphenyl)imino]acenaphthene
• 英文别名: 2-Me-Ph-bian；bis(o-tolylimino)acenaphthene；o-CH3-C6H4-acenaphtene；[C10H6(CN(o-(CH3)2C6H4))2]；((o-methylphenyl)N)2-acenaphthene；1-N,2-N-bis(2-methylphenyl)acenaphthylene-1,2-diimine
• CAS: 887776-99-0
• 化学式: C₂₆H₂₀N₂
• 分子量: 360.458
• InChiKey: JPWZXSJWAPAHCU-UHFFFAOYSA-N

物化性质

• 沸点：
  585.1±53.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tetrachlorobis(tetrahydrofurano)molybdenum(IV) 、 1,2-bis[(2-methylphenyl)imino]acenaphthene 在 Zn 作用下， 以 二氯甲烷 为溶剂， 以86%的产率得到[o-CH3-C6H4-acenaphtene]MoCl2
  参考文献：
  名称：

  Synthesis and crystal structure of tetracoordinated molybdenum (II) complexes containing rigid α-diimine ligands

  摘要：

  The complex of the general formula (dad)MoCl2 [3ai, 3bi, 3c] (dad = R'N=C(R)-C(R)=NR') is obtained in one step by reduction of [MoCl4(thf)(2)] (1) in the presence of dad ligands (dab: ai, Ar-BIAN: bi, Ph-BIC: c) (2). All new complexes have been characterized by IR and NMR spectroscopy. The X-ray single-crystal diffraction of 3a2 reveals a relatively tetrahedral coordination geometry. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.08.027
• 作为产物：
  描述：

  {(bis(o-tolylimino)acenaphthene)zinc chloride} 在 potassium carbonate 作用下， 以 水 为溶剂， 生成 1,2-bis[(2-methylphenyl)imino]acenaphthene
  参考文献：
  名称：

  Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents

  摘要：

  Bis(imino)acenaphthene zinc complexes with methylated aryl substituents have been examined from the standpoint of their photoluminescent properties. Although complexes 1-4 proved to be nonemissive in solution, complexes 1 and 2 were found to emit via an aggregation-induced emission pathway. On the other hand, complexes 3 and 4 were found to be nonemissive in the solid state. Detailed crystallographic studies of complexes 1-4 provided valuable insights into the structural differences between the emissive (1 and 2) and nonemissive complexes (8 and 4), particularly with respect to their molecular Structures and crystal-packing environments. TD-DFT theoretical calculations were carried out and were found to support the hypothesis that the phosphorescent emissions of 1 and 2 are due to the existence of intermolecular pi-stacking interactions within the crystal lattices. Finally, a series of solvatomorphs of complexes 1 and 2 were synthesized and their emissive properties were studied.

  DOI：

  10.1021/om501191c

文献信息

• Preparation and structural characterization of tetracoordinated tungsten(II) diazadiene complexes
  作者：Thouraya Turki、Taha Guerfel、Faouzi Bouachir

  DOI：10.1016/j.jorganchem.2005.12.046

  日期：2006.4

  Reduction in situ of WCl4(MeCN)2 with zinc in the presence of diazadiene ligands 1b–f is reported and produces a series of diamagnetic complexes (DAD)WCl22b–f. All complexes were characterized by 1H, 13C NMR and IR spectroscopic data. The crystal structures of complexes 2b and 2e were solved by X-ray diffraction methods.

  据报道，在重氮二烯配体1b – f存在下用锌原位还原WCl 4（MeCN）2会产生一系列抗磁性配合物（DAD）WCl 2 2b – f。所有配合物均通过1 H，13 C NMR和IR光谱数据表征。配合物2b和2e的晶体结构通过X射线衍射法解析。
• Synthesis, characterization and crystal structure of diamagnetic tetracoordinated chromium (II) complexes supported by α-diimine ligands
  作者：Thouraya Turki、Taha Guerfel、Faouzi Bouachir

  DOI：10.1016/j.inoche.2006.03.011

  日期：2006.10

  Abstract The α-diimine ligands Ar N C(R) C(R) N Ar ( ai, bi, c ) react with CrCl 3 (thf) 3 1 in the presence of zinc to give new diamagnetic tetrahedral chromium (II) complexes supported by α-diimine ligands 2ai ( i = 1–2), 2bi ( i = 1–2) and 2c in good yields. All compounds were characterized by NMR and IR spectroscopy. The solid-state structure of 2b2 , which crystallized in the Orthorhombic space

  摘要 α-二亚胺配体 Ar NC(R) C(R) N Ar ( ai, bi, c ) 在锌存在下与 CrCl 3 (thf) 3 1 反应生成新的抗磁性四面体铬 (II) 配合物，由α-二亚胺配体 2ai ( i = 1–2)、2bi ( i = 1–2) 和 2c 的产率很高。所有化合物均通过核磁共振和红外光谱表征。2b2 的固态结构在正交空间群 P2 1 2 1 2 1 中结晶，晶胞参数 a = 11.825(5) A, b = 12.034(4) A 和 c = 16.393(8) A，是通过 X 射线晶体学建立。
• Synthesis and characterization of rigid bidentate nitrogen ligands and some examples of coordination to divalent palladium. X-ray crystal structures of bis (p-tolylimino) acenaphthene and methylchloro [bis(o,o′-diisopropylphenyl-imino) acenaphthene] palla
  作者：Rob van Asselt、Cornelis J. Elsevier、Wilberth J. J. Smeets、Anthony L. Spek、Roland Benedix

  DOI：10.1002/recl.19941130204

  日期：——

  synthesis of bis(isopropylimino)cyclohexane is described, but it was found that a tautomeric imine-enamine compound is formed which coordinates to palladium(II) in a monodentate fashion, which could not be converted to a chelating ligand. The structures of p Tol-BIAN and Pd(Me)Cl(o,o′-i Pr2C6H3-BIAN) in the solid state were determined by X-ray diffraction. p Tol-BIAN is monoclinic, space group C2,

  描述了刚性双齿氮配体双-（苯基亚氨基）樟脑（Ph-BIC）和一系列双（芳基））啶（Ar-BIAN）的合成和表征。这些配体是在樟脑醌或苯醌与相应的（取代的）苯胺在ZnCl 2或NiBr 2的存在下反应，然后在随后的步骤中除去金属盐而合成的。NDDO在p Tol- BIAN上的计算表明，该配体的电子性质与开链类似物Ph-DAB（DAB = 1,4-diaza-1,3-butadiene）相当。Ar-BIAN配体的亚胺N原子上的芳族基团定向在双（亚氨基）ac基平面之外，导致形成顺式和反式为异构体的邻位-取代的衍生物ö -MeC 6 ħ 4 -BIAN和OI PRC 6 ħ 4 -BIAN。在溶液中观察到这些配体的一种异构体，但是与Pd（Me）Cl片段配位后，由于形成了两种异构体，因此同时存在顺式和反式形式。此外，描述了尝试合成双（异丙基亚氨基）环己烷，但是发现形成了互变异构的亚胺-烯胺化合物，其
• Gold(<scp>i</scp>) complexes with redox active BIAN and MIAN ligands: synthesis, structure and electrochemistry
  作者：Elena E. Bardina、Nikita Y. Shmelev、Yana N. Albrekht、Winnie Ka Yiu Koon、Pavel A. Abramov、Irina V. Mirzaeva、Dmitriy G. Sheven’、Evgeniya V. Makotchenko、Iakov S. Fomenko、Anton N. Lukoyanov、Maxim N. Sokolov、Maria V. Babak、Artem L. Gushchin

  DOI：10.1039/d3nj03334a

  日期：——

  characterized by analytical and spectroscopic methods and their crystal structures were determined by X-ray diffraction analysis. In all structures, an asymmetric mode of coordination of the di- or monoimine ligand (one shortened Au–N bond and the second elongated Au–N(O) bond) was found, which is a consequence of the so-called antichelate effect. The analysis of the bonding in the coordination environment

  一系列阳离子Au( I )-BIAN/MIAN配合物，即[(PPh 3 )Au(L)]OTf，其中L = dpp-bian ( 1 ), dpp-mian ( 2 ), 2-Me-​​Ph-已制备出bian ( 3 ) 和 4-Me-Ph-bian ( 4 )。所有配合物均通过分析和光谱方法进行表征，并通过 X 射线衍射分析确定其晶体结构。在所有结构中，发现了二亚胺或单亚胺配体的不对称配位模式（一个缩短的 Au-N 键和第二个延长的 Au-N(O) 键），这是所谓的反螯合效应的结果。金( I )配位环境中的键合及阳离子中的配位几何结构分析1-4是使用DFT计算进行的。1-4在二氯甲烷中的循环伏安图在阴极区域表现出一系列以配体为中心的氧化还原过程。已对配合物1-4和各自的亚胺配体进行了初步生物活性测试。
• 一种亚胺胺基配合物、双配亚胺胺基镍配合物及制备方法、镍基催化剂和应用
  申请人：中国石油天然气股份有限公司

  公开号：CN117510368A

  公开（公告）日：2024-02-06

  本发明提供了一种亚胺胺基配合物、双配亚胺胺基镍配合物及制备方法、镍基催化剂和应用。该亚胺胺基配体化合物具有下式Ⅲ所示结构；其中，R1为甲基、苯基或叔丁基；R2为氢、甲基或甲氧基。本发明提供的亚胺胺基配体化合物与镍配位形成的镍配合物可作为主催化剂，在助催化剂的配合下直接催化乙烯聚合得到低分子量、高支化聚乙烯油，且其分子量分布窄，支化度高，性能稳定，倾点低，粘度指数高，具有优异的安定性能和粘温性能，能够代替高品质的PAO润滑油基础油使用。#imgabs0#