Nb(η(5)-C5H4(SiMe3))2Cl | 116852-35-8

• 英文名称: Nb(η(5)-C5H4(SiMe3))2Cl
• 英文别名: Nb(η(5)-C5H4SiMe3)2(Cl)；[(η(5)-C5H4SiMe3)2NbCl]；(η(5)-C5H4SiMe3)2NbCl；Nb(η5-C5H4SiMe3)2Cl；[(Cp')2NbCl]x；(η5-C5H4SiMe3)2NbCl
• CAS: 116852-35-8
• 化学式: C₁₆H₂₆ClNbSi₂
• 分子量: 402.913
• InChiKey: JRMICNPVAAAFIL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  Nb(η(5)-C5H4(SiMe3))2Cl 在 二硫化碳 作用下， 以 正己烷 为溶剂， 以90%的产率得到Nb(η(5)-C5H4SiMe3)2Cl(η(2)-CS2-C,S)
  参考文献：
  名称：

  Synthesis and reactivity of bis(trimethylsilylcyclopentadienyl)- niobium compounds with cumulene ligands

  摘要：

  DOI：

  10.1016/0022-328x(87)85175-6
• 作为产物：
  描述：

  dichlorobis{η-(trimethylsilyl)cyclopentadienyl}niobium(IV) 在 NaBPh₄ 作用下， 以 四氢呋喃 为溶剂， 生成 Nb(η(5)-C5H4(SiMe3))2Cl
  参考文献：
  名称：

  电化学氧化诱导的羧基转移铌茂金属配合物的电子转移催化配体取代

  摘要：

  niobocene二氯电化学还原（η 5 -C 5 H ^ 4森达3）2 NbCl 2 1配制为Cp2'NbCl2中的3,4-二氨基苯甲酸的产率存在于复杂的[Nb的（η 5 -C 5 H ^ 4森达3）2（κ 2 - ö，ö -OOC（C 6 H ^ 3）（NH 2）2）] 3。当CN（2,6-Me 2 C 6 H 3）配制成xylylisonitrile（CNXylyl）加入到一个复杂的3溶液，取代反应发生导致络合物[Nb的（η 5 -C 5 H ^ 4森达3）2（κ 1 - O- OOC（C 6 H ^ 3）（NH 2）2）（CN（2,6-ME 2 ç 6 ħ 3））4后3小时。定量且几乎瞬时产生4的另一种方法是先前的氧化3在CNXylyl存在下。因此，我们在这里提出了一个新的电子转移催化（ETC）配位体取代由电化学氧化诱导的羧基化新茂茂配合物的新例子。使用电化学和光谱数据描述了配合物

  DOI：

  10.1016/j.jorganchem.2004.06.043

文献信息

• Chemistry of η²-CS₂ Niobocene Complexes:  Synthesis and Characterization of New 1,3-Dithiol-2-ylidene Complexes via Reactions with Activated Alkynes
  作者：Antonio Antiñolo、Isabel del Hierro、Mariano Fajardo、Santiago Garcia-Yuste、Antonio Otero、Olivier Blacque、Marek M. Kubicki、Jacques Amaudrut

  DOI：10.1021/om950916s

  日期：1996.4.16

  Cp‘2Nb(H)(η2-CH2CHPh) (Cp‘ = η5-C5H4SiMe3) affords the alkylniobocene complexes Cp‘2Nb(Et)(η2-CS2-C,S) (2) and Cp‘2Nb(CH2CH2Ph)(η2-CS2-C,S) (3), respectively. The interaction of η2-CS2-containing complexes Cp‘2NbCl(η2-CS2-C,S) with alkynes bearing electron-withdrawing groups gives rise to a new family of 1,3-dithiol-2-ylidene niobocene species, Cp‘2NbX(CS(R)CC(R)S) (6, X = Cl, R = CF3; 7, X = Cl, R = COOMe;

  CS的反应2与CP ' 2的Nb（H）（η 2 -CH 2 CH 2）或CP' 2的Nb（H）（η 2 -CH 2 CHPh配合）（CP” =η 5 -C 5 H ^ 4森达3）得到alkylniobocene络合物CP ' 2的Nb（ET）（η 2 -CS 2 - ç，小号）（2）和CP' 2的Nb（CH 2 CH 2 PH）（η 2 -CS 2 - ç，小号） （3）。的η的相互作用2 -CS 2含络合物的CP” 2 NbCl（η 2 -CS 2 - Ç，小号）与炔烃轴承吸电子基团引起的1,3-二硫杂环戊二烯-2-亚基niobocene的一个新的家庭物种中，CP” 2 NBX（CS（R）C C（R）S）（6，X =氯，R = CF 3 ; 7，X =氯，R = COOMe; 8，X =氯，R = COO吨卜; 9，X =的Et，R = COOMe; 10，X =的Et，R = COO吨卜;
• Metallocene derivatives of early transition metals. Reactions of bis(silylated cyclopentadienyl)niobium complexes with organic halides
  作者：A. Antiñolo、M. Fajardo、A. Otero、M.C. Puerta、Y. Mugnier

  DOI：10.1016/0022-328x(90)80216-m

  日期：1990.2

  The reactions of the complexes Nb(η5-C5H3RR′)2H3 and Nb(η5-C5H3-RR′)2X (X = Br, I; R = H, R′ = SiMe3; R = R′ = SiMe3) with ethyl bromide and methyl iodide afford the new niobium(IV) complexes, Nb(η5-C5H3RR′)2X2 (X = Br, R = H, R′ = SiMe3 (I); R = R′ = SiMe3 (II); X = I, R = H, R′ = SiMe3 (III); R = R′ = SiMe3 (IV)) in high yields. The formation of these complexes is explained in terms of an initial

  配合物的反应的Nb（η 5 -C 5 H ^ 3 RR'）2 ħ 3和Nb（η 5 -C 5 H ^ 3 -RR'）2 X（X = Br的，I; R = H，R'=森达3 ; R = R'=森达3）与乙基溴和甲基碘，得到新的铌（IV）配合物，铌（η 5 -C 5 H ^ 3 RR'）2 X 2（X为Br，R = H， R'= SiMe 3（I）; R = R'= SiMe 3（II）; X = I，R = H，R'= SiMe 3（III）; R = R'= SiMe 3（IV））高产。这些配合物的形成是根据有机卤化物的初始氧化添加来解释的。复杂的Nb的反应（η 5 -C 5 H ^ 4森达3）2氯苄基氯也进行了研究。
• New Niobocene Alkyne Complexes:  Synthesis and Characterization of Neutral and Cationic Niobium Complexes with Functionalized Alkynes. X-ray Crystal Structure of [Nb(η⁵-C₅H₄SiMe₃)₂(Cl)(η²(<i>C</i>,<i>C</i>)-R¹C⋮CR²)] (R¹ = C⋮CPh, R² = Ph (2b); R¹ = CH₂CHC(CH₃)₂, R² = Ph (3b))
  作者：Cristina García-Yebra、Fernando Carrero、Carmen López-Mardomingo、Mariano Fajardo、Ana Rodríguez、Antonio Antiñolo、Antonio Otero、Dominique Lucas、Yves Mugnier

  DOI：10.1021/om980786y

  日期：1999.3.1

  Furthermore, complex 2b undergoes clean reaction with Co2(CO)8 to give the complex Nb(η5-C5H4SiMe3)2Cl(η2(C,C)-R1C⋮CR2) (R1 = CCPh(Co(CO)3)2, R2 = Ph (8b)) through the coordination of both Co(CO)3 moieties to the uncoordinated triple bond. Finally, the enyne-containing niobocene complexes 3a and 3b can be hydrogenated at the CC bond using Pd/C as catalyst to give the alkyne complexes Nb(η5-C5H4SiMe3)2Cl(η2(C

  含二炔-niobocene络合物的Nb（η 5 -C 5 H ^ 4森达3）2 Cl（上η 2（ç，Ç）-R 1 c ^⋮CR 2）（R 1 = C⋮CSiMe 3，R 2 =森达3（图2a）; R 1 = C⋮器CPh，R 2 =苯基（图2b）; R 1 = CH 2 CH 2 ç⋮CH，R 2 = H（2C））由Nb的反应制备（η 5 -C 5H 4 SiMe 3）2 Cl（1）与二炔试剂R-C⋮C-C⋮C-R（R = SiMe 3或Ph）和1,5-己二炔。含烯炔-niobocene络合物的Nb（η 5 -C 5 H ^ 4森达3）2 Cl（上η 2（ç，Ç）-R 1 c ^⋮CR 2）（R 1 = CH 2 CH CH 2，R 2 =苯基（3a）； R 1＝ CH 2 CH C（CH 3）2，R 2＝ Ph（3b）；R 2＝ Ph（3b）。R 1＝ CH 2 C（CH 3）CH 2，R
• Synthesis, electrochemistry and reactivity of formato– and acetato–niobocene complexes
  作者：Antonio Antiñolo、Mariano Fajardo、Santiago García-Yuste、Isabel Del Hierro、Antonio Otero、Soumia Elkrami、Youssef Mourad、Yves Mugnier

  DOI：10.1039/dt9950003409

  日期：——

  The complex [Nb(eta(5)-C(5)H(4)SiMe(3))(2)H-3] 1 reacted with CO2 to give the formato complex [Nb(eta(5)-C(5)H(4)SiMe(3))(2)OC(O)H-O,O'}] 2, which can alternatively be prepared from a two-electron reduction of [Nb(eta(5)-C(5)M(4)SiMe(3))(2)Cl-2] 3 in the presence of formic acid. the reaction of 2 with different pi-acids or heterocumulene molecules resulted in opening of the bidentate formate ligand giving rise to the monodentate formato-containing complexes [Nb(eta 5-C(5)H(4)SiMe(3))(2)OC(O)H-O}L], L = CS2 4, CO 5 or 2,6-Me(2)C(6)H(3)NC 6. On the other hand; [Nb(eta(5)-C(5)H(4)SiMe(3))(2)OC(O)Me-O,O'}] 8 was prepared from either the reaction of [Nb(eta(5)-C(5)H(4)SiMe(3))(2)Cl] 7 with 1 equivalent of TI(O(2)CMe) or from a two-electron reduction of 3 in the presence of acetic acid. The complex [Nb(eta(5)-C(5)H(4)SiMe(3))(2)(MeCOCHCOMe-O,O')] 9 can also be isolated from the reaction of 7 with 1 equivalent of Tl(acac) (acac = acetylacetonate). Complex 8 reacted with oxygen to give [Nb(eta(5)-C(5)H(4)SiMe(3))(2)OOC(O)Me-O}] 10, and with pi-acids or heterocumulenes to give products with a monodentate OC(O)Me ligand, namely [Nb(eta(5)-C(5)H(4)SiMe(3))(2)OC(O)Me-O}L], L = CS2 11, SCNPh 12, PhNCCPhEt 13, MeO(2)CC=CCO(2)Me 14, Bu(t)NC 15 or CO 16. The structures of all complexes have been established by spectroscopic methods.
• Electrochemical synthesis and reactivity of carbonato-niobocene complexes
  作者：Soumia El Krami、Youssef Mourad、Dominique Lucas、Yves Mugnier、Antonio Antiñolo、Mariano Fajardo、Santiago Garcia Yuste、Antonio Otero

  DOI：10.1016/s0022-328x(96)06507-2

  日期：1996.11

  The addition of the CO32- dianion to the electrogenerated species Nb(eta(5)-C(5)H(5)RR')(2)Cl (2: R = H, R' = SiMe(3); 2': R = R' = SiMe(3)) gives in ca. 50% yields the anionic carbonate niobium(III) complex [Nb(eta(5)-C(5)H(3)RR')(2)(O (C) over bar(O)O-O,O')](-) (3: R = H, R' = SiMe(3); 3': R = R' = SiMe(3)) which are oxidized electrochemically to the corresponding paramagnetic niobium(IV) complex [Nb(eta(5)-C(5)H(3)RR')(2)(OC(O)O-O,O')] (5: R = H, R' = SiMe(3); 5': R = R' = SiMe(3)). These paramagnetic derivatives have been characterized by ESR and IR spectroscopy. Mechanistic aspects concerning the formation of 3 and 3' are discussed. 3 can also be obtained from two-electron reduction of Nb(eta(5)-C(5)H(4)SiMe(3))(2)(O)Cl, 4, in the presence of carbon dioxide. The addition of the formate anion HCO2- to 3 gives the formato complex Nb(eta(5)-C(5)H(4)SiMe(3))(2)(OC(O)H-O,O') 6.