[U(pentamethylcyclopentadienyl)2Me((i-Pr)NC(Me)N(i-Pr)-κ2N,N') | 1160174-44-6

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: [U(pentamethylcyclopentadienyl)2Me((i-Pr)NC(Me)N(i-Pr)-κ2N,N')
• 英文别名: (pentamethylcyclopentadienyl)2[(i-Pr)NC(Me)N(i-Pr)-κ2N,N']UMe；(C5Me5)2UMe(MeC(N(iPr))2-κ2N,N')；(C5Me5)2[iPrNC(Me)NiPr-κ2N,N']UMe；carbanide;(C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;uranium(4+)
• CAS: 1160174-44-6
• 化学式: C₂₉H₅₀N₂U
• 分子量: 664.758
• InChiKey: CVHIEGHSMIXEAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.94
• 重原子数：
  32
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  13.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,6-二叔丁基-4-甲基苯酚 、 [U(pentamethylcyclopentadienyl)2Me((i-Pr)NC(Me)N(i-Pr)-κ2N,N') 以 甲苯 为溶剂， 以60%的产率得到((C5Me5)2[iPrNC(Me)NiPr]U)(Me(tBu)2C6H2OHOC6H2(tBu)2Me)
  参考文献：
  名称：

  Aryloxide anions can form outer sphere complexes with metals as electropositive as uranium

  摘要：

  含有外层苯氧化物阴离子的铀复合物是通过2,6-二叔丁基-4-甲基苯酚对单甲基铀茂金属(C5Me5)2[iPrNC(Me)NiPr]UMe中的甲基进行蛋白酶解切割而形成的。

  DOI：

  10.1039/b912222b
• 作为产物：
  描述：

  dimethylbis(η5-pentamethylcyclopentadienyl)uranium 、 N,N'-二异丙基碳二亚胺 以 正戊烷 为溶剂， 以98%的产率得到[U(pentamethylcyclopentadienyl)2Me((i-Pr)NC(Me)N(i-Pr)-κ2N,N')
  参考文献：
  名称：

  将碳二亚胺和有机叠氮化物插入到Act系碳键中

  摘要：

  通过研究碳二亚胺（RN═C═NR）和有机叠氮化物（RN 3）与act系烷基，炔基和芳基配合物的插入化学，探索了对有机act系络合物中空间拥挤的操纵。我PrN═C═N我镨发生反应与（C 5我5）2 ANME 2，以产生同晶甲基脒基（C 5我5）2 ANME [（我PR）NC（ME）N（我PR）-κ 2 N，N']，An = Th，1 ; U，2，高产。的反应我PrN═C═N我Pr与（C 5 Me 5）2 U（C≡CPh）2形成相似的插入产物，（C 5 Me 5）2 U（C≡CPh）[（i Pr）NC（C≡CPh）N（i Pr ）-κ 2 N，N']，3。（C 5我5）2 ù（C 6 H ^ 5）2不会产生类似的产物与我PrN═C═N我PR，但形式而不是复杂的形式上从碳二亚胺衍生插入到一个“（C 5我5）2个U（C 6 H 4）”中间体，（C 5 Me 5）2 U [（i Pr）NC═N（i Pr）（C

  DOI：

  10.1021/om900135e

文献信息

• Reaction Chemistry of the U³⁺ Metallocene Amidinate (C₅Me₅)₂[ⁱPrNC(Me)NⁱPr]U Including the Isolation of a Uranium Complex of a Monodentate Acetate
  作者：William J. Evans、Justin R. Walensky、Joseph W. Ziller

  DOI：10.1021/ic902141f

  日期：2010.2.15

  (C5Me5)2UMe(Spy), 4, respectively. Complex 1 readily reduces the Cu1+ reagents, CuBr, CuI, and CuO2CMe, to produce the corresponding (C5Me5)2[iPrNC(Me)NiPr-κ2N,N′]UX complexes (X = Br, 5; I, 6; O2CMe, 7). X-ray crystallography established complex 7 as the first f element complex containing a monodentate acetate anion. Complex 7 can also be obtained by reaction of (C5Me5)2[iPrNC(Me)NiPr-κ2N,N′]UMe with

  U的还原化学3+在（C的金属茂配位脒环境5我5）2 [我PRNC（ME）N我镨κ 2 N，N' ] U，1，已探索。两个当量1与PhSSPh反应和2,2 ' -dithiopyridine（pySSPy）以产生（C 5我5）2 [我PRNC（ME）N我镨κ 2 N，N' ] U（SPH），2，和（C 5 Me 5）2 [ iPRNC（ME）N我镨κ 2 N，N' ] U（间谍），3，分别。配合物2和3也可以通过插入来合成我PrN═C═N我镨入甲基组中（C 5我5）2 UME（SPH）和（C 5我5）2 UME（间谍），4，分别。配合物1可以轻松还原Cu 1+试剂CuBr，CuI和CuO 2 CME，从而生成相应的（C 5 Me 5）2 [我PRNC（ME）N我镨κ 2 N，N' ] UX复合物（X = Br的，5 ; I，6 ;○ 2 CME，7）。X射线晶体学确定络合物7为包含单齿乙酸盐
• Reactivity of Methyl Groups in Actinide Metallocene Amidinate and Triazenido Complexes with Silver and Copper Salts
  作者：William J. Evans、Justin R. Walensky、Joseph W. Ziller

  DOI：10.1021/om9008179

  日期：2010.1.11

  The effect of the heteroleptic ligand sets (C(5)Me(5))(2)[(i)PrNC(Me)N(i)Pr]}(3-) and (C(5)Me(5))(2)[(Me)-NNN(Ad)]}(3-) on actinide-carbon bond reactivity has been evaluated by examining the monomethyl actinide metallocene amidinate complexes (C(5)Me(5))(2)[(i)Pr-NC(Me)N(i)Pr-k(2)N,N']AnMe(An = U, 1; Th, 2) and the triazenido complex (C(5)Me(5))(2)[(Me)NNN(Ad)-k(2) N(1.3)]U Me, 3. This has led to a facile method to convert methyl groups in U(4+) and Th (4+) complexes to halide and pseudo-halide ligands. Complexes 1 and 3 react with AgOSO(2),CF(3) (AgOTf) to produce (C(5)Me(5))(2)[(i)PrNC(Me)N(i)Pr-k(2) N,N(1)]U(OTf), 4, and (C(5)Me(5))(2)[(Mc)NNN(Ad)-k(2) N(1.3)]U(OTf), 5, respectively. The methyl complexes are also reactive with copper reagents, as demonstrated by the reactions of Cul with 1 and 2 to make(C(5)Me(5))(2)[(i)PrNC(Me)N(i)Pr-k(2)N,N']UI,6, and(C(5)Me(5))2[(i)PrNC(Me)N(i)Pr-k(2) N,N']Th1,7, respectively. Similarly, reactions of CuBr with 1 and 3 generate (C(5)Me(5))2([)[(i)PrNC(Me)N(i)Pr-k(2)N,N']UBr, 8, and (C(5)MC(5))(2)[(Me)NNN(Ad)-K(2)N(1.3)] UBr, 9, respectively. These triflate and halide complexes are good precursors to other complexes with these ligand sets, as exemplified by their reactions with NaN(3), which produce (C(5)Me(5))(2)[(i)PrNC(Me)N(i)Pr-k(2) N,N']U(N(3)), 10, and (C(5)Me(5))(2)[(Me)NNN(Ad)-k(2) N(1.3)]U(N(3)), 11, respectively. However, the reactions of 4 and 6 with LiCH(2)SiMe(3) lead to reduction and the formation of the trivalent uranium heteroleptic metallocene (C(5)Me(5))2[(i)PrNC(Me)N(i)Pr-k(2)-N,N']U, 12. LiCH(2)SiMe(3) does not cause reduction with the triazenido ligand set, and the monoalkyl complex (C(5)Me(5))(2)[(Me)NNN(Ad)-k(2)N(1.3)]U(CH(2)SiMe(3)), 13, can be isolated.