(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).