2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]but-2-ene-2,3-diamine | 1273389-25-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]but-2-ene-2,3-diamine
• CAS: 1273389-25-5
• 化学式: C₂₈H₄₂N₂
• 分子量: 406.655
• InChiKey: HZYUMNDCETVVBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]but-2-ene-2,3-diamine 在 氧气 作用下， 以 正己烷 、 氘代苯 为溶剂， 反应 8.0h， 生成 [(2,6-iPr₂C₆H₃)NC(Me)C(CH₂)N(2,6-iPr2C₆H₃)Al(TEMPO)(Et)]
  参考文献：
  名称：

  Synthesis and Reactions of a Redox-Active α-Diimine Aluminum Complex

  摘要：

  The reaction of the ene-diamine LH2 (L = [ArNC(Me)C(Me)NAr](2-), Ar = 2,6-iPr(2)C(6)H(3)) with AlMe3 and AlEt3 yielded the aluminum dimethyl complex (LH)AlMe2 (1) and the radical (L-center dot)AlEt2 (2; L-center dot = [ArNC(Me)C(Me)-NAr](center dot-)), respectively. Treatment of 2 with O-2 and TEMPO (2,2,6,6-tetramethylpiperidin-l-oxyl) led to hydrogen abstraction from the methyl group at the ligand backbone to give the diamagnetic species (L*)AlEt2 (3; L* = [ArN= C(Me)C(CH2)NAr](-)) and (L*)Al(TEMPO)(Et) (4). In contrast, the reaction of 2 with iodine resulted in the iodination of the Al-C bonds and yielded the radical (L-center dot)AlI2 (5). Reaction of 2 with BCl3 led to electron transfer between the alpha-diimine radicals with the formation of the aluminum cation [(L-0)AlCl2](+)[AlCl4](-) (6; L-0 = ArN=C(Me)(Me)C=NAr) and the diazaborole LBCl (7). The structures of compounds 2, 3, and 7 have been determined by X-ray single-crystal diffraction, and the paramagnetic species 2 has been characterized by EPR measurements.

  DOI：

  10.1021/om300920y

文献信息

• Activation of Ene-Diamido Samarium Methoxide with Hydrosilane for Selectively Catalytic Hydrosilylation of Alkenes and Polymerization of Styrene: an Experimental and Theoretical Mechanistic Study
  作者：Jianfeng Li、Chaoyue Zhao、Jinxi Liu、Hanmin Huang、Fengxin Wang、Xiufang Xu、Chunming Cui

  DOI：10.1021/acs.inorgchem.6b01670

  日期：2016.9.6

  syndiospecific polymerization of styrene upon activation with phenylsilane and regioselective hydrosilylation of styrenes and nonactivated terminal alkenes. Unprecedented regioselectivity (>99.0%) for both types of alkenes has been achieved with the formation of Markovnikov and anti-Markovnikov products in high yields, respectively, whereas the polymerization of styrene resulted in the formation of syndiotactic

  掺有烯二酰胺配体L（DME）Sm（μ-OMe）2 Sm（DME）L（1 ; L = [DipNC（Me）C（Me）NDip] 2–的二甲基，Dip = 2,6- i（Pr 2 C 6 H 3和DME ＝ 1，2-二甲氧基乙烷）已经被制备并在结构上表征。综合大楼1苯硅烷活化和苯乙烯与非活​​化末端烯烃的区域选择性氢化硅烷化反应催化苯乙烯的间同特异性聚合。分别以高收率形成Markovnikov和抗Markovnikov产物，实现了两种烯烃前所未有的区域选择性（> 99.0％），而苯乙烯的聚合导致间同立构的甲硅烷基封端的低聚苯乙烯的形成。动力学实验和密度泛函理论计算有力地支持了由Sm–OMe键1与PhSiH 3的σ键复分解生成的氢化mar中间体。。另外，观察到的用于氢化硅烷化和聚合的区域选择性与计算的能量分布一致，这表明庞大的烯-二叠氮配体和氢化sa中间体对于区域和立体选择性具有重要作用。
• Investigation of the slow relaxation of the magnetization dynamics in homoleptic ene-diamido organodysprosium(<scp>iii</scp>) complexes with K⁺/arene interactions
  作者：Jérôme Long、Aleksei O. Tolpygin、Anton V. Cherkasov、Konstantin A. Lyssenko、Yannick Guari、Joulia Larionova、Alexander A. Trifonov

  DOI：10.1039/d0ce00611d

  日期：——

  We report the synthesis, structure and magnetic investigations of two new Dy3+ homoleptic ate-complexes based on different ene-diamido ligands [K(THF)2][Dy(DAD2R)2] (R = H (1), Me (2) DAD2R = [2,6-iPr2C6H3N–CRCR–NC6H3iPr2-2,6] showing K+/arene interactions. Magnetic investigations reval that both compounds exhibit a zero-field single-molecule magnetic relaxation mainly governed by a Raman process.

  我们报告的合成，结构和磁性调查两个新的Dy 3+均配型吃基于不同的烯二酰氨基配体[K（THF）-complexes 2 ] [镝（DAD 2R）2 ]（R = H（1）中，Me （2）DAD 2R = [2,6-iPr 2 C 6 H 3 N–CR CR–NC 6 H 3 iPr 2 -2,6]显示K + /芳烃相互作用。磁性研究表明两种化合物均显示为零-场单分子磁弛豫主要由拉曼过程控制。
• Assembly of metallo-macrocycles through reductive C–C coupling of alkylnitriles by an Mg–Mg-bonded compound
  作者：Yujie Xue、Jijiang Wang、Yalei Shi、Wenhua Xu、Yanxia Zhao、Biao Wu、Xiao-Juan Yang

  DOI：10.1039/d2dt00181k

  日期：——

  6-iPr2C6H3)NC(Me)]22−) with aliphatic nitriles has been studied. Complex 1 readily activates n-alkylnitriles (RCN; R = propyl, butyl, and pentyl) to afford the unique trinuclear magnesium metallo-macrocyclic complexes, [LMg(μ-(NC–C(R)C(CH2R)–NH})]3[K3(Solv)6] (2–4: R = –(CH2)nCH3, n = 2, 3, or 4; Solv = THF/DME), through a reductive deprotonation of the α-H of one nitrile molecule and C–C coupling between

  低价金属配合物因其对小分子的新反应性而引起了广泛的研究兴趣。在此，α-二亚胺连接的 Mg-Mg 键合化合物 [K(THF) 3 ] 2 [LMg-MgL] ( 1 , L = [(2,6-iPr 2 C 6 H 3 )NC( Me)] 2 2- ) 与脂肪族腈的关系已被研究。配合物1很容易活化正烷基腈（RC N；R = 丙基、丁基和戊基）以提供独特的三核镁金属大环配合物，[LMg(μ-(N C–C(R) C(CH 2 R ) )–NH})] 3 [K 3 (Solv)6 ] ( 2–4 : R = –(CH 2 ) n CH 3 , n = 2、3 或 4；Solv = THF/DME)，通过一个腈分子的 α-H 和 C– 的还原去质子化该 α-碳与另一个腈的氰化物 (CN) 基团之间的 C 偶联，随后发生 1,3-H 位移。结果证明了通过小分子活化组装基于α-二亚胺[LMg]片段的超分子结构的可能性。
• Single-molecule magnet behavior in heterolopetic Dy³⁺-chloro-diazabutadiene complexes: influence of the nuclearity and ligand redox state
  作者：Jérôme Long、Aleksei O. Tolpygin、Anton V. Cherkasov、Konstantin A. Lyssenko、Yannick Guari、Joulia Larionova、Alexander A. Trifonov

  DOI：10.1039/d0dt02305a

  日期：——

  synthesis, structure and magnetic properties investigations of a series of new dysprosium heteroleptic mono- and dinuclear complexes based on the association of chloride and different diazabutadiene (DAD2R = [2,6-iPr2C6H3N–CRCR–NC6H3iPr2-2,6]; R = H, Me) ligands showing different redox states. While using dianionic DAD2R ligands affords the formation of dichloro-bridged dinuclear complexes [Dy2(DAD2R)(μ-Cl)2(THF)2]

  我们报告了一系列基于氯化物和不同的二氮杂丁二烯（DAD 2R = [2,6- i Pr 2 C 6 H 3 N–CR CR–NC 6 H 3 i Pr 2 -2,6]； R = H，Me）配体显示不同的氧化还原态。使用双阴离子DAD 2R配体可形成二氯桥联的双核络合物[Dy 2（DAD 2R）（μ-Cl）2（THF）2 ]（R = H（1），Me（2）），可以通过自由基单阴离子和单阴离子DAD 2R态获得两种不同的通式[DyCl 2（DAD 2R）（THF）2 ]（R = H（3），Me（4））的单核配合物， 分别。值得注意的是，所有配合物均表现出其磁化的缓慢弛豫，其弛豫动力学取决于系统的核性和DAD 2R氧化还原态。
• N-Heterocyclic Carbene-Mediated Ring Opening of Reduced Diazamagnesacycles
  作者：Akachukwu D. Obi、Lucas A. Freeman、Diane A. Dickie、Robert J. Gilliard

  DOI：10.1021/acs.organomet.0c00620

  日期：2020.12.28

  Using a bis(N-heterocyclic carbene) ligand system, we have synthesized magnesium complexes bearing redox-active α-diimines and observed structural rearrangements promoted by dynamic N-heterocyclic carbene (NHC) dissociation. The reduction of a bis(NHC)-stabilized magnesium dihalide (iPrNHC)2MgBr2 (1; iPrNHC = 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene) with KC8 in the presence of the respective

  使用双（N-杂环卡宾）配体系统，我们合成了带有氧化还原活性α-二亚胺的镁配合物，并观察到了动态N-杂环卡宾（NHC）分解促进的结构重排。在各自存在下用KC 8还原双（NHC）稳定的二卤化镁（iPr NHC）2 MgBr 2（1 ; iPr NHC = 1,3-二异丙基-4,5-二甲基咪唑-2-亚丙基）二亚胺，提供双还原的化合物（iPr NHC）2 Mg（Mes DAB Me）（2），（iPr NHC）2 Mg（MesDAB H）（3）和（iPr NHC）2 Mg（Dipp DAB Me）（4）（Mes DAB Me = N，N'-双（2,4,6-三甲基苯基）-2,3-二甲基-1 ，4-diaza-1,3-diene，Mes DAB H = N，N'-双（2,4,6-三甲基苯基）-1,4-diazabutadiene，Dipp DAB Me = N，N' -bis （2， 6-二异丙基苯基）-2