(2,6-diethylphenyl)NHC(CH3)CHC(CH3)N(2,6-diethylphenyl)

• 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: (2,6-diethylphenyl)NHC(CH3)CHC(CH3)N(2,6-diethylphenyl)
• 英文别名: (2,6-diethylphenyl)NC(Me)CHC(Me)NH(2,6-diethylphenyl)；(2,6-C6H3Et2)NHC(Me)CHC(Me)N(2,6-C6H3Et2)；DepNHC(CH3)CHC(CH3)NDep；N-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]-2,6-diethylaniline
• 化学式: C₂₅H₃₄N₂
• 分子量: 362.558
• InChiKey: RUGHLJNJDIGANE-ZLAHJKDBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2,6-diethylphenyl)NHC(CH3)CHC(CH3)N(2,6-diethylphenyl) 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  The Ethylsulfinate Ligand:  A Highly Efficient Initiating Group for the Zinc β-Diiminate Catalyzed Copolymerization Reaction of CO₂ and Epoxides

  摘要：

  The quantitative synthesis of a series of new zinc(II) sulfinate complexes (4a-e) by insertion of SO2 into zinc-ethyl bonds of beta-diiminate complexes ((ArN= C(CH3)CH=(CH3)CNAr)Zn(O(S=O)Et); Ar = 2,6-diisopropylphenyl (4a), 2,6-diethylphenyl (4b), 2-ethyl-6-isopropylphenyl (4c), 2,6-diphenylphenyl (4d), 2,q-bis(4-tert-butylphenyl)phenyl (4e)) is described. X-ray structure analysis reveals a dinuclear, mu-ethylsulfinate-bridged structure for 4a in the solid state, which in solution exists in an equilibrium with the mononuclear species. The easily accessible complexes 4a-c are highly active catalysts for the alternating copolymerization Of CO2 and cyclohexene oxide, leading to products with narrow molecular weight distributions.

  DOI：

  10.1021/om020734f
• 作为产物：
  描述：

  甲醇 、 (2-((2,6-diethylphenyl)amido)-4-((2,6-diethylphenyl)imino)-2-penteneato)ZnEt 以 甲醇 为溶剂， 生成 (2,6-diethylphenyl)NHC(CH3)CHC(CH3)N(2,6-diethylphenyl) 、 [(2-((2,6-diethylphenyl)amino)-4-((2,6-diethylphenyl)imino)-2-pentene)Zn(μ-methoxy)]₂
  参考文献：
  名称：

  The Ethylsulfinate Ligand:  A Highly Efficient Initiating Group for the Zinc β-Diiminate Catalyzed Copolymerization Reaction of CO₂ and Epoxides

  摘要：

  The quantitative synthesis of a series of new zinc(II) sulfinate complexes (4a-e) by insertion of SO2 into zinc-ethyl bonds of beta-diiminate complexes ((ArN= C(CH3)CH=(CH3)CNAr)Zn(O(S=O)Et); Ar = 2,6-diisopropylphenyl (4a), 2,6-diethylphenyl (4b), 2-ethyl-6-isopropylphenyl (4c), 2,6-diphenylphenyl (4d), 2,q-bis(4-tert-butylphenyl)phenyl (4e)) is described. X-ray structure analysis reveals a dinuclear, mu-ethylsulfinate-bridged structure for 4a in the solid state, which in solution exists in an equilibrium with the mononuclear species. The easily accessible complexes 4a-c are highly active catalysts for the alternating copolymerization Of CO2 and cyclohexene oxide, leading to products with narrow molecular weight distributions.

  DOI：

  10.1021/om020734f

文献信息

• Reactivity Consequences of Steric Reduction in Cyclopentadienyl Chromium β-Diketiminate Complexes
  作者：K. Cory MacLeod、Julia L. Conway、Liming Tang、Joshua J. Smith、Liam D. Corcoran、Katherine H. D. Ballem、Brian O. Patrick、Kevin M. Smith

  DOI：10.1021/om900788c

  日期：2009.12.14

  half-sandwich β-diketiminate complexes, CpCr[(ArNCMe)2CH]X, X = I (2), CH3 (3), or Cl (4), were prepared. Compared to previously communicated complexes with Ar = 2,6-iPr2C6H3 (Dpp, a), Cr(III) complexes with less sterically demanding ligands such as Ar = 2,6-Me2C6H3 (Xyl, b), 2,4,6-Me3C6H2 (Mes, c), or 2,6-Et2C6H3 (Dep, d) were more readily synthesized via salt metathesis reactions. Iodide compounds 2b−d were

  制备了一系列Cr（III）半三明治β-二酮化合物，CpCr [（ArNCMe）2 CH] X，X = I（2），CH 3（3）或Cl（4）。与先前传达的Ar = 2,6- i Pr 2 C 6 H 3（Dpp，a）的配合物相比，具有较少空间需求配体的Cr（III）配合物，例如Ar = 2,6-Me 2 C 6 H 3（ Xyl，b），2,4,6-Me 3 C 6 H 2（Mes，c）或2,6-Et 2 C 6H 3（Dep，d）更容易通过盐复分解反应合成。通过用一半当量的碘氧化相应的Cr（II）物种CpCr [（ArNCMe）2 CH] 1b - d制备碘化物2b - d。由两步一锅法从无水CrCl 3制备氯化铬（III）络合物CpCr [（ArNCMe）2 CH] Cl 4c - d。MeMgI与任一的Cr（III）氯化物或碘化物的前体反应得到在Cr（III）络合物甲基CPCR [（ArNCMe）2
• Cyclopentadienyl Chromium β-Diketiminate Complexes: Initiators, Ligand Steric Effects, and Deactivation Processes in the Controlled Radical Polymerization of Vinyl Acetate
  作者：Yohan Champouret、K. Cory MacLeod、Ulrich Baisch、Brian O. Patrick、Kevin M. Smith、Rinaldo Poli

  DOI：10.1021/om900869p

  日期：2010.1.11

  C6H3iPr2-2,6 or dipp, 4) have been synthesized and used in polymerization experiments in addition to the previously known analogues with Ar = Ar′ = xyl, 1, or dipp, 5. The compounds were used as moderators for the polymerization of vinyl acetate (VAc) initiated by V-70, according to an OMRP mechanism. The alkylchromium(III) thermal initiator CpCr(nacnacxyl,xyl)(CH2CMe3) (8) was synthesized from CpCr(nacnacxyl

  新化合物CpCr（nacnac Ar，Ar'）与nacnac Ar，Ar' = Ar-N --- C（Me）--- CHC（Me）--- N-Ar'（Ar = Ar'= C 6 H 2 Me 3 -2,4,6或mes，2 ; C 6 H 3 Et 2 -2,6或dep，3 ; Ar = C 6 H 3 Me 2 -2,6或xyl且Ar'= C 6 H 3 i Pr 2 -2,6或dipp，4除了先前已知的Ar = Ar'= xyl，1或dipp，5的类似物外，已合成）并用于聚合实验。根据OMRP机理，这些化合物用作V-70引发的乙酸乙烯酯（VAc）聚合反应的调节剂。由CpCr（naxac ，xyl）（OTs）（7）和Mg（CH 2 CMe 3）2（二恶烷）合成烷基铬（III）热引发剂CpCr（nacnac xyl，xyl）（CH 2 CMe 3）（8）），而7是从CPCR得到（nacnac
• Reaction of β-diketiminate copper(ii) complexes and Na2S2
  作者：Masayuki Inosako、Atsushi Kunishita、Chizu Shimokawa、Junji Teraoka、Minoru Kubo、Takashi Ogura、Hideki Sugimoto、Shinobu Itoh

  DOI：10.1039/b808678h

  日期：——

  the sterically less demanding ligands, rearrangement of the disulfide adduct from end-on to side-on followed by self-dimerisation occurs to give the (mu-eta2:eta2-disulfido)dicopper(II) complexes, whereas such an intramolecular rearrangement of the disulfide co-ligand does not take place with the sterically more demanding ligands. In this case, homolytic cleavage of the CuII-S bond occurs to give the

  β-二甲叉铜（II）配合物与Na2S2的反应导致形成（mu-eta2：eta2-二硫键）二铜（II）配合物（加合物形成）或β-二甲叉铜（I）配合物（还原铜（II）） ）取决于支撑配体的取代基。在空间上对配体要求不高的情况下，发生了加合物形成，从而提供了（mu-eta2：eta2-二硫键合）二铜（II）配合物，而铜（II）的还原反应产生了相应的铜（I）配合物。更苛刻的β-二酮配体。使用紫外可见光谱和ESR在低温下对反应进行光谱检查以及动力学分析表明，最初形成具有末端结合模式的1：1加合物LCuII-S-SNa作为常见的中间体，取决于配体提供的金属配位球的空间环境，从中存在不同的反应途径。因此，在空间上对配体要求不高的情况下，发生二硫加合物从端到端的重排，然后进行自我二聚，从而生成（mu-eta2：eta2-disulfido）二铜（II）配合物，而这种分子内分子在空间上要求更高的配体上不会发
• Single-Site β-Diiminate Zinc Catalysts for the Alternating Copolymerization of CO₂ and Epoxides:  Catalyst Synthesis and Unprecedented Polymerization Activity
  作者：Ming Cheng、David R. Moore、Joseph J. Reczek、Bradley M. Chamberlain、Emil B. Lobkovsky、Geoffrey W. Coates

  DOI：10.1021/ja003850n

  日期：2001.9.1

  Synthetic routes to zinc ss -diiminate complexes are reported. The synthesis of 11 ss -diimine [(BDI)H] ligands, with varying N-aryl substituents and bridging structures, is described. These ligands are converted to (BDI)ZnX complexes (X = OAc. Et. N(SiMe3)(2), Br, Cl, OH, OMe, (OPr)-Pr-i). X-ray structural data revealed that all zinc complexes examined exist as mu -X-bridged dimers in the solid state, with the exception of the zinc ethyl and amido complexes which were monomeric. Complexes of the form (BDI)ZnOR (R = alkyl, acyl) and (BDI)ZnN(SiMe3)(2) are highly active catalysts for the alternating copolymerization of epoxides and CO2. Copolymerizations of cyclohexene oxide (CHO) and CO2 with (BDI-1)ZnX [(BDI-1) = 2-((2,6-diisopropylphenyl)amido)-4-((2,6-diisopropylphenyl)imino)-2-pentene)] and (BDI-2)ZnX [(BDI-2) = 2-((2,6-diethylphenyl)amido)-4-((2,6-diethylphenyl)imino)-2-pentene)], where X = OAc, Et, N(SiMe3)(2), Br, Cl, OH, OMe, (OPr)-Pr-i, were attempted at 50 degreesC and 100 Psi CO2. Complexes with X = OAc, N(SiMe3)(2), OMe, (OPr)-Pr-i all produced polycarbonate by the alternated insertion of CHO and CO2 with similar catalytic activities, comparable molecular weights, and narrow molecular weight distributions (MWD similar to 1.1), indicating the copolymerizations are living. Furthermore, ligand effects were shown to dramatically influence the polymerization activity as minor steric changes accelerated or terminated the polymerization activity.
• Structure and reactivity of mono- and dinuclear diiminate zinc alkyl complexes
  作者：Scott D Allen、David R Moore、Emil B Lobkovsky、Geoffrey W Coates

  DOI：10.1016/s0022-328x(03)00544-8

  日期：2003.10

  The synthesis, structure and reactivity of several diiminate ligands are presented. The syntheses of five representative beta-diiminate (BDI) zinc alkyl complexes and one beta-oxo-delta-diiminate (BODDI) zinc alkyl are described. BDI ligands with varying backbone and N-aryl substituents display different solid state structures. [(BDI)ZnR] are synthesized by the reaction of (BDI)H with ZnR, in quantitative yield. Previously reported (BDI-1)ZnEt is a three-coordinate monomer in the solid state whereas [(BDI-3)ZnEt](infinity) [(BDI-3) = 2-((2,6-diisopropylphenyl)amido)-3-cyano-4-((2,6-diisopropylphenyl)imino-2-pentene] and [(BDI-4)ZnEt](infinity) [(BDI-4) = 2-((2,6-diethylphenyl)amido)-3-cyano-4-((2,6-diethylphenyl)imino-2-pentene] form one dimensional coordination polymers. The bimetallic complex [(BODDI-1)(ZnEt)(2)] [(BODDI-1) = 2,6-bis((2,6-diisopropylphenyl)amido)-2,5-heptadien-4-one] is prepared through the reaction of (BODDI-1)H-2 with two equivalents ZnEt2. Both [(BDI)ZnEt] and [(BODDI)ZnEt] complexes react with acetic acid to give the acetate complexes in moderate to high yields, offering a superior synthetic route to these complexes. [(BDI)ZnR] [BDI=(BDI-3) or 1,1,1-trifluoro-2-((2,6-diisopropylphenyl)amido)-4-((2,6-diethylphenyl)imino-2-pentene), (BDI-5)] complexes react with MeOH to produce [(BDI)Zn(mu-OMe)}(2)Zn(mu-OMe)(2)] in moderate yields. The molecular structures of [(BDI-3)ZnEt], [(BDI-4)ZnEt], [(BODDI-1)(ZnEt)(2)], [(BODDI-1)Zn-2(mu-OAc)(2)], [(BDI-3)Zn(mu-OMe)}(2)Zn(mu-OMe)(2)] and [(BDI-5)Zn(mu-OMe)}(2)Zn(mu-OMe)2] have been determined by X-ray diffraction. (C) 2003 Elsevier B.V. All rights reserved.