[Nb(η(5)-C5H4SiMe3)2(OC(O)H-O,O')] | 172907-15-2

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: [Nb(η(5)-C5H4SiMe3)2(OC(O)H-O,O')]
• 英文别名: Nb(η(5)-C5H4(SiMe3))2(O2CH)；cyclopenta-2,4-dien-1-yl(trimethyl)silane;niobium(3+);formate
• CAS: 172907-15-2
• 化学式: C₁₇H₂₇NbO₂Si₂
• 分子量: 412.478
• InChiKey: IYMNZYJSWVYJPB-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)-C5H4SiMe3)2(OC(O)H-O,O')] 在 一氧化碳 作用下， 以 正己烷 为溶剂， 以90%的产率得到[Nb(η(5)-C5H4SiMe3)2(OC(O)H-O)(CO)]
  参考文献：
  名称：

  Synthesis, electrochemistry and reactivity of formato– and acetato–niobocene complexes

  摘要：

  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)O{OC(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.

  DOI：

  10.1039/dt9950003409
• 作为产物：
  描述：

  Nb(η5-C5H4SiMe3)2H3 在 二氧化碳 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到[Nb(η(5)-C5H4SiMe3)2(OC(O)H-O,O')]
  参考文献：
  名称：

  Synthesis, electrochemistry and reactivity of formato– and acetato–niobocene complexes

  摘要：

  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)O{OC(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.

  DOI：

  10.1039/dt9950003409

文献信息

• 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.
• New Studies on the Reactivity of Hydride-Containing Niobocene Complexes Towards Insertion and Protonation Processes
  作者：Antonio Antiñolo、Fernando Carrillo-Hermosilla、Juan Fernández-Baeza、Santiago García-Yuste、Antonio Otero、Javier Sánchez-Prada、Elena Villaseñor

  DOI：10.1002/1099-0682(200007)2000:7<1437::aid-ejic1437>3.0.co;2-j

  日期：2000.7