[Ti(η⁵-C₅Me₅)*Me(κ³-ONS-SPhN=CHPhO)] | 1608093-32-8

• 英文名称: [Ti(η⁵-C₅Me₅)*Me(κ³-ONS-SPhN=CHPhO)]
• 英文别名: [TiCp*Me(κ³-ONS-SPhN=CHPhO)]
• CAS: 1608093-32-8
• 化学式: C₂₄H₂₇NOSTi
• 分子量: 425.43
• InChiKey: LVMHIDSRIWCVRS-LQFHBUQSSA-L

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：

  三氟甲磺酸 、 [Ti(η⁵-C₅Me₅)*Me(κ³-ONS-SPhN=CHPhO)] 以 二氯甲烷 为溶剂， 反应 2.0h， 以70%的产率得到[Ti(η⁵-C₅Me₅)*(κ³-ONS-SPhN=CHPhO)(OTf)]
  参考文献：
  名称：

  Monocyclopentadienyl titanium complexes supported by functionalized Shiff Base ligands

  摘要：

  The titanium derivatives [TiCp * Me(k(3)-ONO-OOCPhN=CHPhO)] (1), [TiCp * Me(k(3)-ONO-OCH2PhN=CHPhO)] (2) and [TiCp * Me(k(3)-ONS-SPhN=CHPhO)] (3) have been synthesized by reaction of [TiCp * Me-3] (Cp* eta(5)-C5Me5) with 2-(salicylideneamino)benzoic acid, 2-(hydroxybenzyl) salicylideneamino or 2-(salicylideneamino) thiophenol, respectively, in a 1:1 M ratio. The reaction of [TiCp * Me-3] with and 2-(salicylideneamino) thiophenol in 1: 2 M ratio yields the titanium compound [TiCp * Me(k(3)-ONS-SPhN=CHPhO)(k(1)-O-PhCHNHPhS)] (5) Complexes 1, 2 and 3 react with (BuNC)-Bu-t to yield the iminoacyl-containing compounds [TiCp * ( eta(2)-CN-MeC=(NBu)-Bu-t)(k(3)-ONO-OOCPhN=CHPhO)] (6), [TiCp * (eta(2)-CN-MeC=(NBu)-Bu-t)(k(3)-ONO-OCH2PhN=CHPhO)] (7) and [TiCp * ( eta(2)-CN-MeC=(NBu)-Bu-t)(k(3)-ONS -SPhN=CHPhO)] (8). Compounds 7 and 8 can be protonated with triflic acid to yield the aminocarbene derivatives (9) and (10), respectively. Moreover, the reaction of complexes 1-3 with triflic acid renders the corresponding triflate compounds [TiCp * ( k(3)-ONO-OOCPhN=CHPhO)(OTf)] (11), [TiCp * (k(3)-ONO -OCH2PhN=CHPhO)(OTf)] (12) and [TiCp * (k(3)-ONS-SPhN=CHPhO)(OTf)] (13). The reaction of 1 or 2 with B(C6F5)(3) in a 1:1 M ratio yields the carboxylate adduct [TiCp * Me(k(3)-ONO-OOCPhN= CHPhO.B(C6F5)(3))] (14) or the cationic derivative. [TiCp * (k(3)-ONO-OCH2PhN=CHPhO)] (2)[MeB(C6F5)(3))](2) (15), respectively. The molecular structures of complexes 2, 5, 6, 13 and 15 have been established by X-ray diffraction methods. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.02.023
• 作为产物：
  描述：

  carbanide,cyclopenta-1,3-diene,titanium(4+) 、 2-(亚水杨基氨基)硫代苯酚 以 正戊烷 为溶剂， 反应 0.5h， 以72%的产率得到[Ti(η⁵-C₅Me₅)*Me(κ³-ONS-SPhN=CHPhO)]
  参考文献：
  名称：

  Monocyclopentadienyl titanium complexes supported by functionalized Shiff Base ligands

  摘要：

  The titanium derivatives [TiCp * Me(k(3)-ONO-OOCPhN=CHPhO)] (1), [TiCp * Me(k(3)-ONO-OCH2PhN=CHPhO)] (2) and [TiCp * Me(k(3)-ONS-SPhN=CHPhO)] (3) have been synthesized by reaction of [TiCp * Me-3] (Cp* eta(5)-C5Me5) with 2-(salicylideneamino)benzoic acid, 2-(hydroxybenzyl) salicylideneamino or 2-(salicylideneamino) thiophenol, respectively, in a 1:1 M ratio. The reaction of [TiCp * Me-3] with and 2-(salicylideneamino) thiophenol in 1: 2 M ratio yields the titanium compound [TiCp * Me(k(3)-ONS-SPhN=CHPhO)(k(1)-O-PhCHNHPhS)] (5) Complexes 1, 2 and 3 react with (BuNC)-Bu-t to yield the iminoacyl-containing compounds [TiCp * ( eta(2)-CN-MeC=(NBu)-Bu-t)(k(3)-ONO-OOCPhN=CHPhO)] (6), [TiCp * (eta(2)-CN-MeC=(NBu)-Bu-t)(k(3)-ONO-OCH2PhN=CHPhO)] (7) and [TiCp * ( eta(2)-CN-MeC=(NBu)-Bu-t)(k(3)-ONS -SPhN=CHPhO)] (8). Compounds 7 and 8 can be protonated with triflic acid to yield the aminocarbene derivatives (9) and (10), respectively. Moreover, the reaction of complexes 1-3 with triflic acid renders the corresponding triflate compounds [TiCp * ( k(3)-ONO-OOCPhN=CHPhO)(OTf)] (11), [TiCp * (k(3)-ONO -OCH2PhN=CHPhO)(OTf)] (12) and [TiCp * (k(3)-ONS-SPhN=CHPhO)(OTf)] (13). The reaction of 1 or 2 with B(C6F5)(3) in a 1:1 M ratio yields the carboxylate adduct [TiCp * Me(k(3)-ONO-OOCPhN= CHPhO.B(C6F5)(3))] (14) or the cationic derivative. [TiCp * (k(3)-ONO-OCH2PhN=CHPhO)] (2)[MeB(C6F5)(3))](2) (15), respectively. The molecular structures of complexes 2, 5, 6, 13 and 15 have been established by X-ray diffraction methods. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.02.023