Zn(C6F5)2*(toluene) | 903499-23-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Zn(C6F5)2*(toluene)
• 英文别名: bis(pentafluorophenyl)zinc toluene adduct (1/1)；bis(pentafluorophenyl)zinc toluene solvate；PhMe*Zn(C6F5)2；(C6F5)2Zn*toluene；bis(pentafluorophenyl)zinc*toluene；(C6F5)2Zn-toluene-(1/1)；[zinc(C6F5)2]*toluene；[Zn(C6F5)2]*tol；ZINC;1,2,3,4,5-pentafluorobenzene-6-ide;toluene
• CAS: 903499-23-0
• 化学式: C₇H₈*C₁₂F₁₀Zn
• 分子量: 491.647
• InChiKey: RGNAGQJXSVXVSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.36
• 重原子数：
  30
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  Zn(C6F5)2*(toluene) 、 六甲基苯 以 甲苯 为溶剂， 以82.3%的产率得到zinc;1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentafluorobenzene-6-ide
  参考文献：
  名称：

  Reactions of Zinc Dialkyls with (Perfluorophenyl)boron Compounds:  Alkylzinc Cation Formation vs C₆F₅ Transfer

  摘要：

  Reaction between ZnR2 and [H(OEt2)(2)] [B(C6F5)(4)] in ether leads to the salts [RZn(OEt2)(3)]-[B(C6F5)(4)], while mixtures of ZnR2 (R = Me, Et) and B(C6F5)(3) in toluene-d(8) undergo facile alkyl/C6F5 group exchange to give Zn(C6F5)(2). (toluene). Mixtures of ZnR2 and B(C6F5)(3) in hydrocarbon/diethyl ether solvent mixtures react with alkyl transfer to afford the ion pairs [RZn(OEt2)(3)] [RB(C6F5)(3)], whereas the reaction of ZnEt2 with [Ph3C] [B(C6F5)(4)] in toluene-d(8) proceeds with beta -H abstraction to give ethene and Ph3CH, with the subsequent rapid formation of Zn(C6F5)(2).

  DOI：

  10.1021/om0103557
• 作为产物：
  描述：

  三(五氟苯基)硼烷 、 二(2-甲基-2-丙基)锌 、 甲苯 以 甲苯 为溶剂， 以76.6%的产率得到Zn(C6F5)2*(toluene)
  参考文献：
  名称：

  Reactions of Zinc Dialkyls with (Perfluorophenyl)boron Compounds:  Alkylzinc Cation Formation vs C₆F₅ Transfer

  摘要：

  Reaction between ZnR2 and [H(OEt2)(2)] [B(C6F5)(4)] in ether leads to the salts [RZn(OEt2)(3)]-[B(C6F5)(4)], while mixtures of ZnR2 (R = Me, Et) and B(C6F5)(3) in toluene-d(8) undergo facile alkyl/C6F5 group exchange to give Zn(C6F5)(2). (toluene). Mixtures of ZnR2 and B(C6F5)(3) in hydrocarbon/diethyl ether solvent mixtures react with alkyl transfer to afford the ion pairs [RZn(OEt2)(3)] [RB(C6F5)(3)], whereas the reaction of ZnEt2 with [Ph3C] [B(C6F5)(4)] in toluene-d(8) proceeds with beta -H abstraction to give ethene and Ph3CH, with the subsequent rapid formation of Zn(C6F5)(2).

  DOI：

  10.1021/om0103557

文献信息

• Lewis acid–base interactions between platinum(<scp>ii</scp>) diaryl complexes and bis(perfluorophenyl)zinc: strongly accelerated reductive elimination induced by a Z-type ligand
  作者：Allegra L. Liberman-Martin、Daniel S. Levine、Micah S. Ziegler、Robert G. Bergman、T. Don Tilley

  DOI：10.1039/c6cc02433e

  日期：——

  Z-type interactions between bis(perfluorophenyl)zinc and platinum(II) diaryl complexes supported by 1,10-phenanthroline (phen), 2,2[prime or minute]-bipyridine (bpy), and bis(dimethylphosphino)ethane (dmpe) ligands are reported.

  1,10-菲咯啉（phen），2,2 [伯或分钟]-联吡啶（bpy）和双（二甲基膦基）乙烷（dmpe）所支持的双（全氟苯基）锌与铂（II）二芳基配合物之间的Z型相互作用）配体的报道。
• Synthesis, Structure, and Supramolecular Architecture of Benzonitrile and Pyridine Adducts of Bis(pentafluorophenyl)zinc: Pentafluorophenyl–Aryl Interactions versus Homoaromatic Pairing
  作者：Eddy Martin、Claire Spendley、Andrew J. Mountford、Simon J. Coles、Peter N. Horton、David L. Hughes、Michael B. Hursthouse、Simon J. Lancaster

  DOI：10.1021/om701127p

  日期：2008.4.1

  X-ray diffraction and have distorted tetrahedral geometries. Analysis of the crystal packing revealed a preponderance of offset face-to-face homo−aryl and embrace-like interactions over the hetero−aryl, pentafluorophenyl−phenyl, interaction. These aryl−aryl synthons serve to assemble paired, one- and three-dimensional supramolecular architectures.

  用2当量的一系列苄腈或吡啶衍生物处理（C 6 F 5）2 Zn（甲苯），得到配合物（C 6 F 5）2 Zn（L）2（其中L =苄腈，4-（苯基））苄腈，4-（N-吡咯基）苄腈，吡啶，4-（苯基）吡啶和4-（N-吡咯基）吡啶）。通过一系列可变温度19 F NMR实验并与（C 6 F 5）2比较，证实了这些配合物的四坐标溶液相性质。Zn（2,2'-bipy）。通过单晶X射线衍射测定（C 6 F 5）2 Zn（NCC 6 H 4 C 6 H 5）2的四配位加合物和甲苯溶剂化物的无溶剂固态结构。并且扭曲了四面体的几何形状。晶体堆积的分析显示，相对于杂芳基，五氟苯基-苯基相互作用，存在大量的错位面对面的同芳基和类似拥抱的相互作用。这些芳基-芳基合成子用于组装成对的一维和三维超分子结构。
• Neutral and Cationic N‐Heterocyclic Carbene Zinc Adducts and the BnOH/Zn(C ₆ F ₅ ) ₂ Binary Mixture – Characterization and Use in the Ring‐Opening Polymerization of β‐Butyrolactone, Lactide, and Trimethylene Carbonate
  作者：Gilles Schnee、Christophe Fliedel、Teresa Avilés、Samuel Dagorne

  DOI：10.1002/ejic.201300292

  日期：2013.7.12

  molecular structures of derivatives 2b, 4b, and 4c confirmed their adduct nature, and their bonding and geometrical parameters are influenced by the nature of the Zn–X group. The ionization reaction of the dimethyl Zn species 2a and 2b with the methide abstracting reagent B(C6F5)3 in the presence of tetrahydrofuran (THF) afforded the NHC–Zn organocations (1,3-dimesitylimidazol-2-ylidene)Zn(Me)(THF)2+ (3a+)

  各种 N-杂环卡宾 (NHC) 锌加合物 NHC-ZnMe2 [2a, NHC = 1,3-dimesitylimidazol-2-ylidene; 2b，NHC = 1,3-(2,6-iPr2Ph)2-咪唑-2-亚基；2c, NHC = 1,3-二叔丁基咪唑-2-ylidene] 和 NHC-Zn(C6F5)2 [4a, NHC = 1,3-dimesitylimidazol-2-ylidene; 4b，NHC = 1,3-(2,6-iPr2Ph)2-咪唑-2-亚基；4c，NHC = 1,3-二-叔丁基咪唑-2-亚基] 通过适当的 NHC 配体与 ZnMe 2 或（甲苯）Zn（C 6 F 5 ） 2 的反应合成。衍生物 2b、4b 和 4c 的 X 射线分子结构证实了它们的加合物性质，它们的键合和几何参数受 Zn-X 基团性质的影响。在四氢呋喃 (THF) 存在下，二甲基 Zn 物质 2a
• The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc
  作者：Andrew J. Mountford、Simon J. Lancaster、Simon J. Coles、Peter N. Horton、David L. Hughes、Michael B. Hursthouse、Mark E. Light

  DOI：10.1021/om060319d

  日期：2006.7.1

  geometry about the zinc atom is essentially tetrahedral. However, there is considerable variation in the supramolecular architectures in the solid state. A number of types of noncovalent interactions are observed including phenyl−pentafluorophenyl stacking, X−H···F−C contacts, and offset face-to-face contacts between pentafluorophenyl rings, giving rise to one-, two-, and three-dimensional supramolecular

  通过用2当量的相应胺处理路易斯酸Zn（C 6 F 5）2制备了一系列八种（RR'R''N）2 ·Zn（C 6 F 5）2形式的加合物。（R = t Bu或CH 2 Ph，R'= R''= H; R = R'= Me或CH 2 Ph，R''= H; R = Me，R'= CH 2 Ph，R'' = H; RR'=环-C 4 H 8或环-C 5 H 10，R''= H; R = R'= Me，R''= CH 2Ph）。通过单晶X射线衍射已经阐明了所有八种化合物的固态结构。在每种情况下，围绕锌原子的几何形状基本上为四面体。然而，固态的超分子结构有相当大的变化。观察到许多类型的非共价相互作用，包括苯基-五氟苯基堆积，X-H···F-C接触以及五氟苯基环之间的错位面对面接触，产生了一个，一个，两个和三个尺寸超分子结构。在我们的示例中，我们发现没有任何一种分子间相互作用占主导。
• Trinuclear zinc calix[4]arenes: synthesis, structure, and ring opening polymerization studies
  作者：Tian Xing、Josef W. A. Frese、Max Derbyshire、Mollie A. Glenister、Mark R. J. Elsegood、Carl Redshaw

  DOI：10.1039/d2dt01496c

  日期：——

  trinuclear zinc calix[4]arene complexes [Zn3(O2CCH3)2(L(O)2(OMe)2)2·xMeCN (x = 7.5, 1; x = 6, 1′), [Zn3(O2CCH3)2(L(O)2(OnPr)2)2·5MeCN (2·5MeCN), [Zn3(OEt)2(L(O)2(OMe)2)2]·4MeCN (3·4MeCN), [Zn3(OEt)2(L(Opentyl)2)2]·4.5MeCN (4·4.5MeCN) and [Zn3(OH)2(L(O)2(On-pentyl)2]·8MeCN (5·8MeCN) have been isolated from reaction of [(ZnEt)2(L(O)2(OR)2)2] (L(OH)2(OR)2 = 1,3-dialkoxy-4-tert-butylcalix[4]arene; R = methyl

  三核锌杯[4]芳烃配合物[Zn 3 (O 2 CCH 3 ) 2 (L(O) 2 (OMe) 2 ) 2 · x MeCN ( x = 7.5, 1 ; x = 6, 1' ), [ Zn 3 (O 2 CCH 3 ) 2 (L(O) 2 (O n Pr) 2 ) 2 ·5MeCN ( 2 ·5MeCN), [Zn 3 (OEt) 2 (L(O) 2 (OMe) 2 ) 2]·4MeCN ( 3 ·4MeCN)、[Zn 3 (OEt) 2 (L(Opentyl) 2 ) 2 ]·4.5MeCN ( 4 ·4.5MeCN) 和 [Zn 3 (OH) 2 (L(O) 2 (O ) n-戊基) 2 ]·8MeCN ( 5 ·8MeCN) 已从 [(ZnEt) 2 (L(O) 2 (OR) 2 ) 2 ] (L(OH) 2 (OR) 2 = 1, 3-二烷氧基-4-叔丁基杯[4]芳烃；R = 甲基