lithium,(2,3,4-triphenylcyclopenta-2,4-dien-1-yl)benzene | 58081-02-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: lithium,(2,3,4-triphenylcyclopenta-2,4-dien-1-yl)benzene
• 英文别名: 1,2,3,4-(tetraphenyl)-cyclopenta-1,3-dienyl lithium；Tetraphenylcyclopentadienyllithium
• CAS: 58081-02-0
• 化学式: C₂₉H₂₁Li
• 分子量: 376.427
• InChiKey: SGHOAAZXUNJUIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.18
• 重原子数：
  30.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.03
• 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：

  lithium,(2,3,4-triphenylcyclopenta-2,4-dien-1-yl)benzene 在 triphenyl-methylphosphonium tetrafluoroborate 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 生成 (2,3-Dimethyl-cycloprop-2-enyl)-tetraphenyl-cyclopentadienylium
  参考文献：
  名称：

  Prinzbach,H.; Fischer,U., Angewandte Chemie, 1966, vol. 78, p. 642

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2,3,4-四苯基-1,3-环戊二烯 在 正丁基锂 、 正己烷 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以88%的产率得到lithium,(2,3,4-triphenylcyclopenta-2,4-dien-1-yl)benzene
  参考文献：
  名称：

  Schumann, Herbert; Janiak, Christoph; Zuckerman, Jerold J., Chemische Berichte, 1988, vol. 121, p. 207 - 218

  摘要：

  DOI：

文献信息

• An unusual reaction of tetraphenylcyclopentadienyl derivatives of the group IVA elements with isopropylidenetriphenylphosphorane
  作者：I.V. Borisova、Yu.N. Luzikov、N.N. Zemlyansky、Yu.A. Ustynyuk、I.P. Beletskaya

  DOI：10.1016/0022-328x(84)85092-5

  日期：1984.6

  Reactions of the compounds of the R2R′EC29H21 type (R = Alk; R′Alk, Cl; E = Si,Ge,Sn; C29H21 = 1,2,3,4-tetraphenylcyclopentadiene-5-yl) with Ph3P=CMe2 were carried out. As was shown for Me3GeC29H21 by 13C and 31P NMR spectroscopy, the reactions proceed in the direction of demetallation (kinetic control) and deprotonation (thermodynamic control); the salts [R2E(C29H20)Cl]-[Ph3PCHMe2]+ were isolated

  R 2 R'EC 29 H 21类型的化合物的反应（R = Alk; R'Alk，Cl; E = Si，Ge，Sn; C 29 H 21 = 1,2,3,4-四苯基环戊二烯-5 -Ph）与Ph 3 P ＝ CMe 2进行。如通过13 C和31 P NMR光谱显示的Me 3 GEC 29 H 21，反应朝着脱金属（动力学控制）和去质子化（热力学控制）的方向进行；盐[R 2 E（C 29 H 20）Cl]-[Ph 3 PCHMe 2 ] + 被隔离了。
• Synthesis, Characterization and Polymerization Behavior of {(1 <i>R, S</i> )‐2‐(η ⁵ ‐9‐Fluorenyl)‐1‐[η ⁵ ‐(1 <i>R,S</i> )‐indenyl]‐1‐phenylethane}zirconium dichloride and {(1 <i>R,S</i> )‐Cyclohexyl‐2‐(η ⁵ ‐octahydro‐9‐fluorenyl)‐1[η ⁵ ‐tetrahydro‐(1 <i>R,S</i> )‐indenyl]ethane}zirconium Dichloride
  作者：Gerhard Jany、Timo Repo、Marina Gustafsson、Markku Leskelä、Mika Polamo、Martti Klinga、Ulf Dietrich、Bernhard Rieger

  DOI：10.1002/cber.19971300612

  日期：1997.6

  etraphenylcyclopentadienyl)ethane (4c). The ansa-metallocene (1-(R,S)-2(η5-9-fluorenyl)-1-[η5-1(R,S)-indenyl]-1-phenylethane]ZrCl2 (5a) was prepared from the dilithio salt of 4a. Hydrogenation of 5a with H2/PtO2 leads to 1(R,s)-cyclohexyl-2-(η5-octahydro-9-fluorenyl)-1-[η5-tetrahydro-1(R,S)-indenyl]ethane]ZrCl2 (6a. The complexes 5a and 6a were activated with methylalumoxane (MAO) and used for propene

  环氧苯乙烯（1a）通过用芴基或茚基锂处理转化为相应的醇2a–c。然后将这些醇进一步转化为三氟甲磺酸酯衍生物3a–c。随后三氟甲磺酸与芴基，吲哚基或四苯基环戊二烯基锂的反应导致形成2-（9-芴基）-1（1-茚基）-1-苯基乙烷（4a）和1-（9-芴基）-2 -（5-四苯基环戊二烯基）乙烷（4c）。所述柄型茂金属（1-（R，S）-2-（η 5 -9-芴基）-1- [η 5 -1（R，S） -茚基] -1-苯基乙烷]的ZrCl 2（5a）由4a的二硫代盐制备。的氢化5A用H 2 / PtO的2根引线到1（R，S） -环己基-2-（η 5 -八氢-9-芴基）-1- [η 5 -四氢- 1（R，S） -茚基]乙烷] ZrCl 2（6a）用甲基铝氧烷（MAO）活化配合物5a和6a并用于丙烯聚合，报道了4b，4c和5a的固态结构。
• Cycloheptatriene and tropylium metal complexes. Part IV. Preparation of 7-exo-substituted tricarbonylcycloheptatrienechromiums
  作者：P. L. Pauson、G. H. Smith、J. H. Valentine

  DOI：10.1039/j39670001057

  日期：——

  The 7-exo-configuration is assigned to all substituted tricarbonylcycloheptatrienechromiums previously prepared by the “normal” reaction of tricarbonyltropyliumchromium salts with anions. Several new examples are described, and displacement of methoxide from tricarbonyl-7-exo-methoxycycloheptatrienechromium is shown to be an advantageous alternative route to these products.

  7-外-构型分配给先前通过三羰基tropylium铬盐与阴离子的“正常”反应制备的所有取代的三羰基环庚三烯铬。描述了几个新的实例，并且表明从三羰基-7-外-甲氧基环庚三烯铬置换甲醇盐是这些产物的有利替代途径。
• 95Mo and 199Hg NMR studies on complexes containing molybdenum-mercury bonds and substituted-cyclopentadienyl ligands: [(C5H5-nRn)(CO)3Mo]xHgX2-x (R = Me, n = 0, 1, 4, 5; R = Ph, n = 4; X = Cl, Br, I; x = 1, 2)
  作者：M.M. Kubicki、J.Y. Le Gall、R. Pichon、J.Y. Salaun、M. Cano、J.A. Campo

  DOI：10.1016/0022-328x(88)80416-9

  日期：1988.7

  NMR data for 95Mo and 199Hg nuclei have been obtained for di- and tri-metallic complexes containing molybdenum-mercury bonds and substituted-cyclopentadienyl ligands [(C5H5-nRn)(CO)3Mo]xHgX2-x; R = Me, n = 0, 1, 4, 5; R = Ph, n = 4; X = Cl, Br, I; x = 1, 2. The 95Mo chemical shifts vary markedly with the substituent on the C5 ring, with the shielding decreasing in the order C5H5 > C5H4Me > C5HMe4 >

  对于含钼-汞键和取代的环戊二烯基配体[（C 5 H 5- n R n）（CO）3 Mo] x HgX 2的二金属和三金属配合物，已获得95 Mo和199 Hg核的NMR数据。- X ; R = Me，n = 0、1、4、5；R = Ph，n = 4；X = Cl，Br，I; x = 1，2。95 Mo的化学位移随C 5环上的取代基而显着变化，屏蔽层按C 5 H 5 > C 5 H 4的顺序降低Me> C 5 HMe 4 > C 5 Me 5 > C 5 HPh 4，但是对于给定的环戊二烯基配体，它们几乎不受X配体变化的影响。相反，除C 5 HPh 4的情况（建议可能引起分子内的汞-苯基相互作用）外，199 Hg的变化仅受环取代的影响很小，但受配体X的影响很大。考虑所研究的配合物的化学方面。
• Organochromium π-complexes—VI. The preparation of Cp′(η3-allyl)2Cr compounds and their reactions with donor ligands
  作者：P. Betz、A. Döhring、R. Emrich、R. Goddard、P.W. Jolly、C. Krüger、C.C. Romão、K.U. Schönfelder、Y.-H. Tsay

  DOI：10.1016/s0277-5387(00)80115-1

  日期：1993.11

  The title compounds have been prepared by reacting a Cp'CrCl2 or a (eta3-allyl)2CrCl species with either an allylmagnesium halide or a substituted cyclopentadienyllithium derivative. The compounds react further at room temperature to give the dinuclear species [Cp'(mu-eta3-allyl)Cr]2, and with P-donor ligands with reductive coupling of the allyl groups to give Cp'(eta2,eta2-1,5-hexadiene)CrPR3 species. Diene exchange is observed upon reacting the hexadiene compounds with butadiene or cyclohexadiene. The crystal structures of [Cp'(mu-eta3-C3H5)Cr]2, [(eta5-indenyl)(mu-eta3-C3H5)Cr]2, (eta5-indenyl) (eta2,eta2-1,5-hexadiene)CrP(OMe)3 and three compounds containing a 1,3-diene, viz. Cp(eta4-1,3-C4H6)CrPMe3, (eta5-Me5C5)(eta4-1,3-C4H6)CrCO and Cp(eta4-1,3-cyclohexadiene) CrP(OMe), have been established by X-ray diffraction.