[(NCN^dipp)Y(CH₂C₆H₄NMe₂-o)₂] | 1031883-49-4

• 分子结构分类: 有机化合物
• 英文名称: [(NCN^dipp)Y(CH₂C₆H₄NMe₂-o)₂]
• 英文别名: [Y(o-CH2C6H4NMe2)2(N,N'-bis(2,6-diisopropylphenyl)benzamidinate))]；[2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide;2-methanidyl-N,N-dimethylaniline;yttrium(3+)
• CAS: 1031883-49-4
• 化学式: C₄₉H₆₃N₄Y
• 分子量: 796.972
• InChiKey: BWRJPQCOZXAAET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.83
• 重原子数：
  54
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  19.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  二氧化碳 、 [(NCN^dipp)Y(CH₂C₆H₄NMe₂-o)₂] 以 甲苯 为溶剂， 反应 0.08h， 以78%的产率得到{[PhC(NC₆H₄ⁱPr₂-2,6)₂]Y(μ-η¹:η²-O₂CCH₂C₆H₄NMe₂-o)(μ-η¹:η¹-O₂CCH₂C₆H₄NMe₂-o)}₂
  参考文献：
  名称：

  Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes

  摘要：

  Three kinds of solvated lithium amidinates with different coordination models were obtained via recrystallization of [PhC((NC6H4Pr2)-Pr-i-2,6)(2)]Li(THF) (1a) in different solvents. Treatment of o-Me2NC6H4CH2Li with LLnCl(2)(THF)(n) (2; L = [PhC((NC6H4Pr2)-Pr-i-2,6)(2)](-) (NCNdipp), [o-Me2NC6H4CH2C-((NC6H4Pr2)-Pr-i-2,6)(2)](-) (NCNdipp)) formed in situ from reaction of LnCl(3)(THF)(x) with LLi(THF) gave the rare-earth-metal bis(aminobenzyl) complexes LLn-(CH2C6H4NMe2-o)(2) (L = NCNdipp, Ln = Sc (3a), Y (3b), Lu (3c); L = NCNdipp, Ln = Sc (3d), Lu (3e)) in high yields. Reactions of complexes 3 with CO2, PhNCO, 2,6-diisopropylaniline, and S have been explored. CO2 inserted into each Ln-C bond of complexes 3a-c to form the dual-core complexes [(NCNdipp)Sc(mu-eta(1):eta(1)-O2C CH2C6H4NMe2-o)(2)](2) (4a) and [(NCNdipp)Ln(mu-eta(1):eta(2-)/O2CCH2C6H4NMe2-o)(mu-eta(1):eta(O2CCH2C6H4NMe2)-O-2-o)](2) (Ln = Y (4b), Lu (4c)). The reaction of 3b,c,e with PhNCO produced LLu[OC(CH2C6H4NMe2-o)NPh](2)(thf) (L = NCN&PP, Ln = Y (5b), Lu (5c);.L = NCNdipp, Ln = Lu (Se)). Protonolysis of 3a,b by 2,6-diisopropylaniline formed straightforwardly the mu(2)-imido complexes [(NCNdipp)Ln(mu-(NC6H4Pr2)-Pr-i-2,6)](2) (Ln = Sc (6a), Lu (6c)). Reaction of 3e with S-8 afforded the sulfur insertion products (NCNdipp')(CH2C6H4NMe2-o)(SCH2C6H4NMe2-o)(thf) (7e) and (NCNdipp)Lu(SCH2C6H4NMe2-o)2(thf)(2) (7f) in high yields, respectively, depending on the stoichiometric ratio. All of these complexes were fully characterized by elemental analysis, NMR spectroscopy, and X-ray structural determinations.

  DOI：

  10.1021/om400787j
• 作为产物：
  描述：

  2-(dimethylamino)benzyllithium 、 [PhC(NC₆H₄ⁱPr₂-2,6)₂]YCl₂(THF)₂ 以 四氢呋喃 为溶剂， 反应 12.0h， 以88%的产率得到[(NCN^dipp)Y(CH₂C₆H₄NMe₂-o)₂]
  参考文献：
  名称：

  Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes

  摘要：

  Three kinds of solvated lithium amidinates with different coordination models were obtained via recrystallization of [PhC((NC6H4Pr2)-Pr-i-2,6)(2)]Li(THF) (1a) in different solvents. Treatment of o-Me2NC6H4CH2Li with LLnCl(2)(THF)(n) (2; L = [PhC((NC6H4Pr2)-Pr-i-2,6)(2)](-) (NCNdipp), [o-Me2NC6H4CH2C-((NC6H4Pr2)-Pr-i-2,6)(2)](-) (NCNdipp)) formed in situ from reaction of LnCl(3)(THF)(x) with LLi(THF) gave the rare-earth-metal bis(aminobenzyl) complexes LLn-(CH2C6H4NMe2-o)(2) (L = NCNdipp, Ln = Sc (3a), Y (3b), Lu (3c); L = NCNdipp, Ln = Sc (3d), Lu (3e)) in high yields. Reactions of complexes 3 with CO2, PhNCO, 2,6-diisopropylaniline, and S have been explored. CO2 inserted into each Ln-C bond of complexes 3a-c to form the dual-core complexes [(NCNdipp)Sc(mu-eta(1):eta(1)-O2C CH2C6H4NMe2-o)(2)](2) (4a) and [(NCNdipp)Ln(mu-eta(1):eta(2-)/O2CCH2C6H4NMe2-o)(mu-eta(1):eta(O2CCH2C6H4NMe2)-O-2-o)](2) (Ln = Y (4b), Lu (4c)). The reaction of 3b,c,e with PhNCO produced LLu[OC(CH2C6H4NMe2-o)NPh](2)(thf) (L = NCN&PP, Ln = Y (5b), Lu (5c);.L = NCNdipp, Ln = Lu (Se)). Protonolysis of 3a,b by 2,6-diisopropylaniline formed straightforwardly the mu(2)-imido complexes [(NCNdipp)Ln(mu-(NC6H4Pr2)-Pr-i-2,6)](2) (Ln = Sc (6a), Lu (6c)). Reaction of 3e with S-8 afforded the sulfur insertion products (NCNdipp')(CH2C6H4NMe2-o)(SCH2C6H4NMe2-o)(thf) (7e) and (NCNdipp)Lu(SCH2C6H4NMe2-o)2(thf)(2) (7f) in high yields, respectively, depending on the stoichiometric ratio. All of these complexes were fully characterized by elemental analysis, NMR spectroscopy, and X-ray structural determinations.

  DOI：

  10.1021/om400787j

文献信息

• Small molecule activation by mixed methyl/methylidene rare earth metal complexes
  作者：Jianquan Hong、Zhenhua Li、Zhening Chen、Linhong Weng、Xigeng Zhou、Lixin Zhang

  DOI：10.1039/c6dt00314a

  日期：——

  afforded unexpected alkenyl dianion complexes L3Ln3(μ2-Me)3(μ3-Me)(μ–η1:η3-PhCCMe) [Ln = Y(3a), Lu(3b)] through the insertion of rare earth methylidene into a C–H bond in a reductive fashion. However, reaction of complexes 1 and HCCSiMe3 gave μ3-Me protonolysis complexes L3Ln3(μ2-Me)3(μ3-CCSiMe3)(μ3-CH2) [Ln = Y (4a), Lu (4b)] in excellent yields. Treatment of complexes 1 with CS2 led to the formation

  轴承苯甲脒基笨重大号共配体混合四甲基/亚甲基稀土配合物的反应性不同的图案3 LN 3（μ 2 -Me）3（μ 3 -Me）（μ 3 -CH 2）[L = [光子晶体（NC 6 ħ 3 i Pr 2 -2,6）2 ] - ; 已经建立了具有PhCN，炔烃和CS 2的Ln = Y（1a），Lu（1b）] 。配合物的反应1与PHCN得到μ 3个-CH 2加成络合物（NCN DIPP）3路3（μ 2 -Me） 3（μ 3 -Me）[μ-η 1：η 1：η 3 -CH 2 C（PH）N] [Ln为Y（图2a），路（ 2B）。复合物的治疗1与苯乙炔，得到意想不到的二价阴离子的烯基络合物大号3 LN 3（μ 2 -Me） 3（μ 3 -Me）（μ-η 1：η 3 -PhCCME）[Ln为Y（图3A），路（ 3b）]通过还原方式将稀土亚甲基插入C–H键中。然而，复合物的反应1和HC CSiMe 3给μ 3
• Isoprene Polymerization with Yttrium Amidinate Catalysts: Switching the Regio- and Stereoselectivity by Addition of AlMe3
  作者：Lixin Zhang、Masayoshi Nishiura、Masahiro Yuki、Yi Luo、Zhaomin Hou

  DOI：10.1002/anie.200705120

  日期：2008.3.25