potassium 1,3-bis(tert-butyl)cyclopentadienide | 153330-56-4

• 英文名称: potassium 1,3-bis(tert-butyl)cyclopentadienide
• 英文别名: potassium 1,3-di-t-butylcyclopentadienide；K{1,3-(Me3C)2C5H3}；(η5-1,3-(Me3C)2C5H3)K；K(Cp(tt))
• CAS: 153330-56-4
• 化学式: C₁₃H₂₁K
• 分子量: 216.408
• InChiKey: YTZWCANYMAPNJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  potassium 1,3-bis(tert-butyl)cyclopentadienide 、 di(rhodium)tetracarbonyl dichloride 以 正戊烷 为溶剂， 以82%的产率得到(η(5)-1,3-di-(tert-butyl)cyclopentadienyl)Rh(CO)2
  参考文献：
  名称：

  单UND二叔丁基环戊二烯基-羰基- komplexe DES mangans，eisens，UND Cobalts的rhodiums模kristallstrukturen冯的[Cp X的Fe（CO）2 ] 2（CP X =η 5 -C 5 H ^ 3（吨卜）R -1,3; RH，t Bu）

  摘要：

  [Cp'Fe（CO）的X-射线结构2 ] 2（CP'=η 5 -C 5 H ^ 4吨丁基）揭示了复合物与金属-金属单键和双核反式的Cp的排列'配位体的，而[CP“的Fe（CO）2 ] 2（CP”=η 5 -C 5 H ^ 3吨卜2）是具有二聚体顺的CP“组的配置。[Cp x M（CO）n ]（Cp x = Cp'，Cp''; M M Mn，n= 3; 讨论了MCo，Rh，n＝ 2）和[Cp″ Co（μ-CO）] 2。

  DOI：

  10.1016/0022-328x(93)80365-i

文献信息

• Preparation, Solution Behavior, and Solid-State Structures of (1,3-R₂C₅H₃)₂UX₂, Where R Is CMe₃ or SiMe₃ and X Is a One-Electron Ligand
  作者：Wayne W. Lukens、Sharon M. Beshouri、Laura L. Blosch、Anthony L. Stuart、Richard A. Andersen

  DOI：10.1021/om9805988

  日期：1999.3.1

  High-yield preparations of the uranium metallocenes [1,3-(Me3Si)2C5H3]2UCl2 (Cp‘ ‘2UCl2) and [1,3-(Me3C)2C5H3]2UCl2 (Cp⧧2UCl2) have been developed from the reaction of UCl4 and the corresponding magnesocenes Cp‘ ‘2Mg and Cp⧧2Mg in diethyl ether. The chloride ligands can be exchanged with either Me3SiBr or Me3SiI to give the uranium metallocene bromides or iodides. The fluorides were prepared by the

  铀金属茂[1,3-（我的高产制剂3 Si）的2 ç 5 ħ 3 ] 2 UCL 2（CP' 2 UCL 2）和[1,3-（ME 3 C）2 C ^ 5 ħ 3 ] 2 UCL 2（CP ⧧ 2 UCL 2）已经从UCL的反应开发4和相应的magnesocenes CP”' 2 Mg和的CP ⧧ 2镁在二乙醚中。氯化物配体可以与Me 3交换SiBr或Me 3 SiI生成铀茂金属溴化物或碘化物。通过BF的反应制备氟化物3 ·OET 2再用CP' 2 U（NME）2中，CP ⧧ 2 U（OME）2或CP ⧧ 2 UME 2。CP的晶体结构'' 2 UCL 2中，CP ⧧ 2 UCL 2中，CP ' 2 UME 2中，CP ⧧ 2 UF 2，和二聚体（CP'' 2 UF 2）2被报道。单体CP”'的理想化对称性2 UX 2 1和CP ⧧ 2 UCL 2是C ^ 2 v当X是F，Cl，或Br，C ^
• The synthesis and structure of [Zr(η-C5H5)2(η2-C 5H3But2)X]
  作者：Marco M. Corradi、David J. Duncalf、Gerard A. Lawless、Martin P. Waugh

  DOI：10.1039/a606638k

  日期：——

  Reaction of 1 equiv. of KC 5 H 3 Bu t 2 with [Zr(η-C 5 H 5 ) 2 X 2 ] affords [Zr(η-C 5 H 5 ) 2 (η 2 -C 5 H 3 Bu t 2 )X] (X = Cl 1, Br 2); the molecular structure, and solid- and solution-state 13 C NMR data are presented.

  1当量的反应的 肯尼迪 5 H 3 布 t 2 和 [Zr(δ-C 5 H 5 ） 2 X 2 ] 提供 [Zr(δ-C 5 H 5 ） 2 （我· 2 -C 5 H 3 布 t 2 )X] (X = Cl 1, Br 2); 分子结构、固态和溶液态 13 核磁共振氢谱 给出了数据。
• Neodym(III)komplexe mit stark raumerfüllenden Cyclopentadienyl- und Benzamidinat-Liganden: Ein Vergleich
  作者：Anja Recknagel、Friedrich Knösel、Heinz Gornitzka、Mahias Noltemeyer、Frank T. Edelmann、Ulrich Behrens

  DOI：10.1016/0022-328x(91)80196-q

  日期：1991.10

  [Cp**2Nd(μ-CI)]2 (1) has been prepared by treatment of NdCI3(THF)2 with two equivalents of KCp** (Cp** = 1,3-di-t-butylcyclopentadienyl). Similarly, Li[(CF)3)3C6H2C(NSiMe3)2] reacts with NdCl3(THF)2 to give [(CF3)3C6H2C(NSiMe3)2]2Nd(μ-Cl)2Li(THF)2 (2). Recrystallization of 2 from DME/hexane yields the binuclear derivative (μ-DME)[(CF3)3C6H2C(NSiMe3)2}2Nd(μ-Cl)2Li(THF)]2 (3). The molecular structures

  [Cp ** 2 Nd（μ-CI）] 2（1）通过用两当量的KCp **（Cp ** = 1,3-二叔丁基环戊二烯基）处理NdCl 3（THF）2来制备。类似地，Li [（CF）3）3 C 6 H 2 C（NSiMe 3）2与NdCl 3（THF）2反应得到[（CF 3）3 C 6 H 2 C（NSiMe 3）2 ] 2 Nd （μ-Cl）2 Li（THF）2（2）。从DME /己烷中重结晶2得到双核衍生物（μ-DME）[（CF 3）3 C 6 H 2 C（NSiMe 3）2 } 2 Nd（μ-Cl）2 Li（THF）] 2（3）。的分子结构1，2和3已经通过X射线衍射来确定。2,4,6-三取代的苯甲酰胺酸根阴离子[[CF 3）3 C 6 H 2 C（NSiMe 3）2 ] - 可以看作是大体积的环戊二烯基配体的空间等价物，例如Cp *或Cp **。
• Synthesis and Reactivity of Organometallic Complexes of Divalent Thulium with Cyclopentadienyl and Phospholyl Ligands
  作者：Florian Jaroschik、François Nief、Xavier-Frédéric Le Goff、Louis Ricard

  DOI：10.1021/om700316a

  日期：2007.7.1

  Reaction of sodium 1,2,4-tris(trimethylsilyl)cyclopentadienide [Na(Cp' '')] with [TmI2(THF)(3)] afforded the divalent thulium complex [(Cp' '')(2)Tm(THF)]. Its crystal structure is similar to that of the previously described [(Cp-ttt)(2)Tm(THF)] (Cp-ttt = 1,2,4-tris(tert-butyl)cyclopentadienyl). [(Cp' '')(2)TmI] was prepared by reaction of TmI3 with [K(Cp' '')] and could be reduced by KC8 into a new unsolvated, homoleptic complex, [(Cp' '')(2)Tm], which was characterized by NMR. [(Cp' '')(2)Tm] gave [(Cp' '')(2)Tm(THF)] by interaction with THF. A convenient alternative pathway to [(Cp-ttt)(2)Tm] by reduction of [(Cp-ttt)(2)Tm(BH4)] with KC8 was found: [(Cp-ttt)(2)Tm(BH4)] derives from [Tm(BH4)(3)(THF)(3)], which can be prepared from the less expensive TmCl3. On the other hand, the dimer [(Cp-tt)(2)TmI}(2)] (Cp-tt = 1,3-bis(tert-butyl)cyclopentadienyl), obtained by reaction of TmI3 with [Na(Cp-tt)], gave only intractable results by reaction with KC8. The previously described Tm-II complex [(Dtp)(2)Tm] (Dtp = 2,5-di-tert-butyl-3,4-dimethylphospholyl) and the new, homoleptic, structurally characterized Tm-II dimer [(Htp)(2)Tm}(2)] (Htp = 2,5-di-tert-butylphospholyl) were prepared by KC8 reduction of [(Dtp)(2)TmI] and [(Htp)(2)TmI}(2)], respectively. Reaction of [(Cp-ttt)(2)Tm] with pyridine resulted in an immediate reduction of pyridine into 1,1'-bis(1,4-dihydropyridylamide) and the formation of the structurally characterized [(Cp-ttt)(2)Tm}(2)mu-(NC5H5-C5H5N)}], while the reaction of [(Dtp)(2)Tm] with pyridine gave no isolable complexes. An NMR study suggests that initially a simple Tm-II adduct such as [(Dtp)(2)Tm(pyridine)] is formed in this reaction.
• Cyclooctatetraenyl complexes of the early transition metals and lanthanides
  作者：Ulrike Reißmann、Peter Poremba、Mathias Noltemeyer、Hans-Georg Schmidt、Frank T. Edelmann

  DOI：10.1016/s0020-1693(99)00524-1

  日期：2000.5

  The crystal structure of [(COT)Ce(mu-O3SCF3)(THF)(2)](2) (1) (COT = eta(8)-C8H8) has been determined by X-ray diffraction. The compound crystallizes in the triclinic space group P (1) over bar (a = 930.7(4), b = 1274.3(7), c = 1864.1(10) pm; alpha = 97.68(6), beta = 101.01(2), gamma = 105.25(1)degrees; Z = 2). Together with the bridging triflate ligands the cerium atoms form an eight-membered Ce2O4S2 ring. Treatment of 1 with 2 equiv. of K[1,3-'Bu2C5H3] affords the mixed-sandwich complex (COT)Ce(eta(5)-1,3-'Bu2C5H3) (2) in 78% yield. Furthermore. the preparation of a series of new lanthanide half-sandwich complexes containing the 1,4-bis(trimethylsilyl)-cyclooctatetraenyl ligand (= COT") and additional heteroallylic, aryloxide, and alkyl ligands is reported. (C) 2000 Elsevier Science S.A. All rights reserved.