(3,5-(t)Bu2C6H3)NHC(Ph)CHC(Ph)O | 1137832-06-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (3,5-(t)Bu2C6H3)NHC(Ph)CHC(Ph)O
• 英文别名: 3,5-(t-Bu)2C6H3NHC(Ph)CHC(Ph)O；3-(3,5-Ditert-butylanilino)-1,3-diphenylprop-2-en-1-one；3-(3,5-ditert-butylanilino)-1,3-diphenylprop-2-en-1-one
• CAS: 1137832-06-4
• 化学式: C₂₉H₃₃NO
• 分子量: 411.587
• InChiKey: TTYBIOXUYRZMEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3,5-(t)Bu2C6H3)NHC(Ph)CHC(Ph)O 、 氯化铀 在 Na[N(SiMe₃)2] 作用下， 以 乙醚 为溶剂， 以64%的产率得到[U(3,5-(t-Bu)2C6H3NC(Ph)CHC(Ph)O)4]
  参考文献：
  名称：

  四价Act系元素的键合趋势：IV（Ar acnac）4配合物（An = Th，U，Np，Pu; Ar acnac = Ar N C（Ph）CHC（Ph）O ; Ar = 3,5- t Bu 2 C 6 H 3）

  摘要：

  合成了一系列具有双苯基β-酮基化N，O供体配体的四价An（IV）配合物，目的是确定整个trends系元素的键合趋势和变化。中性分子具有分子式An（Ar acnac）4（An = Th（1），U（2），Np（3），Pu（4）; Ar acnac = Ar N C（Ph）CHC（Ph）O ; Ar = 3,5- t Bu 2 C 6 H 3），并通过与act系元素氯化物前体的盐复分解反应合成。NMR和电子吸收光谱证实了所有四种新化合物的纯度，并在溶液和固态下均表现出稳定性。Th，U和Pu配合物通过单晶X射线衍射进行了结构解析，并显示在C 2 / c空间群中是同构的。对键长的分析表明，从1移到2时the系元素的收缩会缩短An-O和An-N的距离。从2移至4时，起酥油作用更为明显和四复合物的空间限制出现，以防止增强ù-O相对于先前在UI的比较观察到浦-O轨道相互作用2（氩acnac）2及贝2（氩a

  DOI：

  10.1021/ic301109f

文献信息

• Oxo Ligand Silylation in a Uranyl β-Ketoiminate Complex
  作者：Jessie L. Brown、Guang Wu、Trevor W. Hayton

  DOI：10.1021/ja1013739

  日期：2010.6.2

  Addition of Me(3)SiI to UO(2)((Ar)acnac)(2) (ArNC(Ph)CHC(Ph)O, Ar = 3,5-(t)Bu(2)C(6)H(3)) (1) results in the formation of U(OSiMe(3))(2)I(2)((Ar)acnac) (2) in moderate yield. Also formed in the reaction are I(2) and ArNC(Ph)=CHC(Ph)OSiMe(3), the product of [(Ar)acnac](-) abstraction by Me(3)Si(+). In contrast, reaction of 1 with Me(3)SiX (X = Cl, OTf) only results in the formation of UO(2)(OTf)(2)

  将 Me(3)SiI 添加到 UO(2)((Ar)acnac)(2) (ArNC(Ph)CHC(Ph)O, Ar = 3,5-(t)Bu(2)C(6)H (3)) (1) 导致以中等产率形成 U(OSiMe(3))(2)I(2)((Ar)acnac) (2)。反应中还形成了 I(2) 和 ArNC(Ph)=CHC(Ph)OSiMe(3)，这是 [(Ar)acnac](-) 被 Me(3)Si(+) 提取的产物。相比之下，1 与 Me(3)SiX (X = Cl, OTf) 的反应仅导致形成 UO(2)(OTf)(2)((Ar)acnacH)(2)(Et(2)O ) (3) 和 UO(2)Cl(2)((Ar)acnacH)(2) (4) 分别。
• Exploring the Effects of Reduction or Lewis Acid Coordination on the U═O Bond of the Uranyl Moiety
  作者：Trevor W. Hayton、Guang Wu

  DOI：10.1021/ic802360y

  日期：2009.4.6

  Reaction of Li(ArNC(Ph)CHC(Ph)O) ((Ar)acnac; Ar = 2,4,6-Me3C6H2) or Na(ArA/C(Ph)CHC(Ph)O) (Ar = 3,5-(Bu2C6H3)-Bu-t) with 0.5 equiv of UO2Cl2(THF)(3) results in the formation of UO2((Ar)acnac)(2) (Ar = 2,4,6-Me3C6H2, 1; 3,5-(Bu2C6H3)-Bu-t, 2), which were isolated as orange crystalline solids in good yields. The structure of 2 has been confirmed by X-ray crystallography, while the solution redox properties of 1 and 2 have been measured by cyclic voltammetry. Complex I exhibits a reversible reduction feature at E-1/2 = -1.52 V (vs Fc/Fc(+)), while complex 2 exhibits a reduction feature at -1.35 V (vs Fc/Fc(+)). Complexes 1 and 2 react with Cp*Co-2 to generate [CP*2Co][UO2((Ar)acnac)(2)] (Ar = 2,4,6-Me3C6H2, 3; 3,5-(Bu2C6H3)-Bu-t, 4), in moderate to good yields. Both 3 and 4 have been fully characterized, while the structure of 4 has also been determined by X-ray crystallography. Reaction of 2 with 2 equiv of B(C6F5)(3) in CH2Cl2 leads to the isolation of UO(OBC6F5}(3)) ((Ar)acnac)(2) (Ar = 3,5-(Bu2C6H3)-Bu-t) (5). Complex 5, generated in situ, exhibits an irreversible reduction at -0.78 V (vs Fc/Fc+, 100 mV/s scan rate) which is considerably lower than the reduction potential observed for 2, consistent with the removal of electron density from the uranyl moiety by coordination of B(C6F5)(3).
• Bonding Trends Traversing the Tetravalent Actinide Series: Synthesis, Structural, and Computational Analysis of An^IV(^Aracnac)₄ Complexes (An = Th, U, Np, Pu; ^Aracnac = Ar<i>N</i>C(Ph)CHC(Ph)<i>O</i>; Ar = 3,5-^<i>t</i>Bu₂C₆H₃)
  作者：David D. Schnaars、Andrew J. Gaunt、Trevor W. Hayton、Matthew B. Jones、Ian Kirker、Nikolas Kaltsoyannis、Iain May、Sean D. Reilly、Brian L. Scott、Guang Wu

  DOI：10.1021/ic301109f

  日期：2012.8.6

  with actinide chloride precursors. NMR and electronic absorption spectroscopy confirm the purity of all four new compounds and demonstrate stability in both solution and the solid state. The Th, U, and Pu complexes were structurally elucidated by single-crystal X-ray diffraction and shown to be isostructural in space group C2/c. Analysis of the bond lengths reveals shortening of the An–O and An–N distances

  合成了一系列具有双苯基β-酮基化N，O供体配体的四价An（IV）配合物，目的是确定整个trends系元素的键合趋势和变化。中性分子具有分子式An（Ar acnac）4（An = Th（1），U（2），Np（3），Pu（4）; Ar acnac = Ar N C（Ph）CHC（Ph）O ; Ar = 3,5- t Bu 2 C 6 H 3），并通过与act系元素氯化物前体的盐复分解反应合成。NMR和电子吸收光谱证实了所有四种新化合物的纯度，并在溶液和固态下均表现出稳定性。Th，U和Pu配合物通过单晶X射线衍射进行了结构解析，并显示在C 2 / c空间群中是同构的。对键长的分析表明，从1移到2时the系元素的收缩会缩短An-O和An-N的距离。从2移至4时，起酥油作用更为明显和四复合物的空间限制出现，以防止增强ù-O相对于先前在UI的比较观察到浦-O轨道相互作用2（氩acnac）2及贝2（氩a