(η5-C5H4SiMe3)2Nb(κ2-2-mercaptobenzothiazole(1-)) | 947261-73-6

• 英文名称: (η5-C5H4SiMe3)2Nb(κ2-2-mercaptobenzothiazole(1-))
• CAS: 947261-73-6
• 化学式: C₂₃H₃₀NNbS₂Si₂
• 分子量: 533.707
• InChiKey: JRSATMYKEWEZCI-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

• 作为产物：
  描述：

  Nb(η5-C5H4SiMe3)2H3 、 2-巯基苯并噻唑 以 四氢呋喃 为溶剂， 以88%的产率得到(η5-C5H4SiMe3)2Nb(κ2-2-mercaptobenzothiazole(1-))
  参考文献：
  名称：

  Heterocycle-containing niobocene derivatives from hydride–niobocene complexes

  摘要：

  The reaction under thermal conditions Of [CP ' Nb-2(H)(3)] (1), Cp ' = eta(5)-C5H4SiMe3, with benzothiazole heterocycles, namely 2-aminobenzothiazole, bzta-NH2, 2-hydroxybenzothiazole, bzta-OH, 2-mercaptobenzothiazole, bzta-SH, benzoxazole, namely 2-mercaptobenzoxazole, bzoa-SH, and triazines, namely 1,3,5-triaminetriazine, 1,3,5-trihydroxytriazine, 1,3,5-trimercaptotriazine, (C3N3)-1,3, 5-(XH)(3), X = NH, O, S, yields a new family of niobocene complexes [CP ' Nb-2(kappa(2)-X,S-Xbzta)], X = NH (2), O (3), S (4), [CP ' Nb-2-( k(2)-S,N-Sbzoa)] (5) and [(CP ' Nb-2)(3)(kappa(2)-X,N-X3C3N3)], X = NH (6), X = O (7), X = S (8). In the same way, the thermal treatment of complex [CP ' Nb-2(H)(CNXylyl)] (9), Xylyl = C6H4-2,6-Me-2,, with bzta-SH, bzoa-SH and (C3H3)-1,3,5-(SH) affords the complexes [CP ' Nb-2(kappa(1)-S-Sbzta)(CNXylyl)] (10), [CP ' Nb-2(kappa(1)-S-Sbzoa)(CNXylyl)] (11) and [{CP ' Nb-2(CNXylyl)}(3)(kappa(1)-S-S3C3N3)] (12). The reaction of compound 10 with an excess of MeI in toluene at room temperature leads to the ionic compound [CP ' Nb-2(CNXylyl)(2)][I-3] (15), which contains two coordinated CNXylyl ligands and a non-coordinated I-3(-) counteranion. All complexes were characterized by spectroscopic methods and the molecular structure of [CP ' Nb-2(CNXylyl)(2)][I-3] (15) and [CP ' Nb-2(H)(P(OMe)(3))] (.) (bzta)'-NH2 (14), an adduct of the heterocycle with the hydride-niobocene, have been determined by X-ray molecular studies. (c) 2007 Elsevier B.V.. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.03.038