[N(2,6-dimethylphenyl)C(Me)]2CH2

• 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: [N(2,6-dimethylphenyl)C(Me)]2CH2
• 英文别名: NacNacH；N,N'-bis(2,6-Me2C6H3)nacnacH；(2,6-C6H3Me2)NHC(Me)CHC(Me)N(2,6-C6H3Me2)；[(N(2,6-Me2C6H3)C(CH3))2CH]H；[HC[C(Me)N(2,6-Me2C6H3)]2]H；N-[3-[(2,6-Dimethylphenyl)amino]-1-methyl-2-buten-1-ylidene]-2,6-dimethylbenzenamine；N-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]-2,6-dimethylaniline
• 化学式: C₂₁H₂₆N₂
• 分子量: 306.451
• InChiKey: XXZVZICLUJKKAL-JJEZRMFNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 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：

  [N(2,6-dimethylphenyl)C(Me)]2CH2 在 n-C₄H₉Li 作用下， 以 四氢呋喃 、 正己烷 、 氘代苯 为溶剂， 生成 [((2,6-C6H3Me2)NHC(Me)CHC(Me)N(2,6-C6H3Me2))2Al(isobutyl)2]
  参考文献：
  名称：

  β-Diketiminato Rare-Earth Metal Complexes. Structures, Catalysis, and Active Species for Highly cis-1,4-Selective Polymerization of Isoprene

  摘要：

  Lithiation of the beta-diketimines (2,6-C6H3R2)NH=C(Me)CH=C(Me)N(2,6-C6H3R2) (R = Me (HL1), Et (HL2)) by nBuLi was followed by metathesis reaction with LnCl(3)(THF)(x) and Y(BH4)(3)(THF)(2) to afford the corresponding complexes L(1)LnCl(2)(THF)(2) (Ln = Gd (1), Nd (3), Dy (4), Er (5), Y (6)), (LGdCl2)-Gd-2(THF)2 (2), and (LY)-Y-1(BH4)(2)(THF) (8), respectively. Treatment of neutral HL1 with Y(CH2SiMe3)(3)(THF)(2) generated the bis(alkyl) complex 7, (LY)-Y-1(CH2SiMe3)(2)-(THF). Upon activation with [PhNHMe2][B(C6F5)(4)] and AliBu(3), complex 6 showed the highest cis1,4 selectivity (99.3%, T-p = 0 degrees C) toward the polymerization of isoprene, while complex 7 had a comparatively low cis-1,4 selectivity, and in contrast, complex 8 was completely inert. The influences of the ortho substituents of the N-aryl rings of the ligands, the types of central metals and cocatalysts, and addition sequence of the catalyst components had been thoroughly investigated. By means of X-ray diffraction and H-1 NMR spectroscopy analyses, the intermediates arising from the stoichiometric reactions among the catalyst components and the probable active species were elucidated, which facilitates further investigation of the mechanism for diene polymerization.

  DOI：

  10.1021/om100100r

文献信息

• General and highly active catalyst for mono and double Hiyama coupling reactions of unreactive aryl chlorides in water
  作者：Dong-Hwan Lee、Ji-Young Jung、Myung-Jong Jin

  DOI：10.1039/c0cc03535a

  日期：——

  A new beta-diketiminatophosphane Pd catalyst was found to be highly effective in the mono and double Hiyama coupling reactions of unactivated aryl chlorides in water.

  发现一种新的β-二酮基亚氨基膦Pd催化剂在水中未活化的芳基氯化物的单和双Hiyama偶联反应中非常有效。
• Studies of the Ligand Effect on the Synthesis of Dialuminoxanes by Various β-Diketiminato Ligands
  作者：Ying Yang、Haipu Li、Chen Wang、Herbert W. Roesky

  DOI：10.1021/ic2021879

  日期：2012.2.20

  [LAlMe(μ-OH)]2 (8). A convenient route for the preparation of [LAlMe(μ-OH)]2 (8) was the NHC-assisted controlled hydrolysis of LAlMeI (9). Stepwise hydrolysis of LAlH2 (11) gave dialuminoxane hydride [LAl(H)]2(μ-O) (12) and dialuminoxane hydroxide [LAl(OH)]2(μ-O) (13), respectively. Anhydrous treatment of LAlCl2 (1) or LAlMeCl (2) with Ag2O afforded chlorinated dialuminoxane [LAl(Cl)]2(μ-O) (14) and

  LH（L = HC [C（Me）N（2,6-Me 2 C 6 H 3）] 2）与Me n AlCl 3– n在乙醚中的反应得到加合物LH·AlMe n（Cl）3– ñ（ñ = 2，3 ; 1，4 ; 0，5）以良好的收率。在甲苯中高温处理3导致分子内消除甲烷的LAlMeCl（2）。在N-杂环卡宾（NHC）存在下，用等摩尔量的水控制LAlMeCl（2）的水解，得到[LAl（Me）]的混合物2（μ-O）（7）和二聚体[LAlMe（μ-OH）] 2（8）。制备[LAlMe（μ-OH）] 2（8）的简便途径是NHC辅助的LAMMeI的受控水解（9）。LAlH 2（11）的逐步水解分别得到氢化铝氧烷[LAl（H）] 2（μ-O）（12）和氢氧化铝氧烷[LAl（OH）] 2（μ-O）（13）。用Ag 2 O对LAlCl 2（1）或LAlMeCl（2）进行无水处理，得到了氯化二氧杂氧烷[LAl（Cl）]
• 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
• Dinuclear Copper Complexes Based on Parallel β-Diiminato Binding Sites and their Reactions with O₂: Evidence for a Cu−O−Cu Entity
  作者：Peter Haack、Christian Limberg、Kallol Ray、Beatrice Braun、Uwe Kuhlmann、Peter Hildebrandt、Christian Herwig

  DOI：10.1021/ic101249k

  日期：2011.3.21

  [Me2C6H3Xanthdim](Cu(L))2 (L = CH3CN, 1, PPh3, 2, and PMe3, 3) that proved to be stable and were fully characterized. Single crystal X-ray diffraction analyses performed for the three complexes showed that considerable steric crowding within the binding pockets of 2 leads to a very long Cu−Cu distance while the structures of 1 and 3 are relaxed. Compounds 2 and 3 are relatively robust toward air, whereas 1 is very

  关于系统β-二酮基亚胺基-Cu I / O 2的研究揭示了有价值的见解，这些见解可以就含铜的单核加氧酶的行为进行讨论。另一方面，自然界也采用双核Cu酶激活O 2。在这种背景下，研究了配体体系[ Me 2 C 6 H 3 Xanthdim] 2-包含两个平行的β-diiminato结合位点，该结合位点由x吨骨架连接，在diiminato单元上具有2,3-二甲基苯基残基，涉及其铜配位化学。二亚胺[ Me 2 C 6 H3 Xanthdim]H2在乙腈，PPh3和PMe3存在下用CuOtBu处理，得到相应的配合物[ Me 2 C 6 H 3 Xanthdim]（Cu（L））2（L = CH3CN ，1，PPH3，2，和PME3，3），其被证明是稳定的并充分表征。对这三种配合物进行的单晶X射线衍射分析表明，在2个结合口袋中有相当大的空间拥挤导致非常长的Cu-Cu距离，而1和3的结构则松弛。化合物2
• Synthesis and X-ray structure of cationic β-diimine palladium complexes containing π-methallyl ligand
  作者：Kamel Landolsi、Philippe Richard、Faouzi Bouachir

  DOI：10.1016/j.jorganchem.2004.10.003

  日期：2005.1

  yield of cationic palladium β-diimine complexes [(CH2(MeCNAr)2)Pd(η3-C4H7)][Y] (Ar = C6H5, Y = PF6 (8); 2-Me-C6H4, Y = PF6 (9); 2,6-Me2-C6H3, Y = PF6 (10); 2,6-iPr2-C6H3, Y = PF6 (11), Y = B(3,5-(CF3)2-C6H3)4 (12)) have been obtained by an oxidative addition of the methallyloxyphosphonium salts (5, 6) to a preformed complex Pd(dba)2 (7) in the presence of the β-iminoamine ligands (1–4).

  阳离子钯β二亚胺复合物的高产率[（CH 2（MeCNAr）2）的Pd（η 3 -C 4 ħ 7）] [Y]（AR = C 6 H ^ 5，Y = PF 6（8）; 2- Me-C 6 H 4，Y ＝ PF 6（9）； 2，6-Me 2 -C 6 H 3，Y ＝ PF 6（10）；2，6- i Pr 2 -C 6 H 3，Y ＝ PF 6（11），Y = B（3,5-（CF 3）2 -C 6 H 3）4（12））是通过在β-亚氨基胺配体存在下将甲基烯丙氧基phosph盐（5，6）氧化添加到预先形成的络合物Pd（dba）2（7）中而获得的（1 - 4）。