[(η5-C5Me5)titanium(IV)Me(OOC(C6H4)NH2)2] | 1268275-39-3

• 英文名称: [(η5-C5Me5)titanium(IV)Me(OOC(C6H4)NH2)2]
• CAS: 1268275-39-3
• 化学式: C₂₅H₃₀N₂O₄Ti
• 分子量: 470.404
• InChiKey: OQJPRLGFQOGIRE-UHFFFAOYSA-L

计算性质

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

反应信息

• 作为反应物：
  描述：

  tert-butyl isocyanide 、 [(η5-C5Me5)titanium(IV)Me(OOC(C6H4)NH2)2] 以 二氯甲烷 为溶剂， 以48%的产率得到[(η5-C5Me5)titanium(IV)(MeCN(t-Bu))(OOC(C6H4)NH2)2]
  参考文献：
  名称：

  Monocyclopentadienyl titanium complexes supported by functionalized carboxylate ligands

  摘要：

  The reaction of [TiCp*Cl-3] with [Fe(eta(5)-C5H5)(eta(5)-C5H4COOH)] in the presence of NEt3 yields [TiCp*{(OOC-C5H4)FeCp}(3)] (1), (Cp = eta(5)-C5H5). The alkyl complex [TiCp*Me-3] reacts with [FeCp(eta(5)-C5H4-CH2COOH)] or anthranilic acid rendering the tris-carboxylate titanium complexes [TiCp*{(OOCCH2-C5H4)FeCp}(3)] (2) and [TiCp*{(OOCC6H4NH2)(3)] (3), respectively. Complex 3 can be protonated with triflic acid to render [TiCp*{(OOCC6H4NH2)(3)].HOTf (4). The reaction of [TiCp*Me-3] with anthranilic acid in a 1:2 M ratio yields the alkyl carboxylate derivative [TiCp*Me{(OOCC6H4NH2)(2)] (5). Complex 5 reacts with (BuNC)-Bu-t to render the iminoacyl complex [TiCp*(eta(2)-(MeCNBu)-Bu-t){(OOCC6H4NH2)(2)] (6). The reaction of [TiCp*Cl-3] with the ferroceneacetic acid, gives [TiCp*Cl-2{(OOCCH2-C5H4)FeCp}] (7). The [TiCp*Cl](2)(mu-O)[(OOC-C5H4)(2)Fe] (8) can be obtained by reaction of [TiCp*Cl-3] with [Fe(eta(5)-C5H4-COOH)(2)] in the presence of a base. The molecular structures of 1 and 8 have been established by X-ray diffraction methods. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.10.019
• 作为产物：
  描述：

  carbanide,cyclopenta-1,3-diene,titanium(4+) 、 邻氨基苯甲酸 以 甲苯 、 正戊烷 为溶剂， 以70%的产率得到[(η5-C5Me5)titanium(IV)Me(OOC(C6H4)NH2)2]
  参考文献：
  名称：

  Monocyclopentadienyl titanium complexes supported by functionalized carboxylate ligands

  摘要：

  The reaction of [TiCp*Cl-3] with [Fe(eta(5)-C5H5)(eta(5)-C5H4COOH)] in the presence of NEt3 yields [TiCp*{(OOC-C5H4)FeCp}(3)] (1), (Cp = eta(5)-C5H5). The alkyl complex [TiCp*Me-3] reacts with [FeCp(eta(5)-C5H4-CH2COOH)] or anthranilic acid rendering the tris-carboxylate titanium complexes [TiCp*{(OOCCH2-C5H4)FeCp}(3)] (2) and [TiCp*{(OOCC6H4NH2)(3)] (3), respectively. Complex 3 can be protonated with triflic acid to render [TiCp*{(OOCC6H4NH2)(3)].HOTf (4). The reaction of [TiCp*Me-3] with anthranilic acid in a 1:2 M ratio yields the alkyl carboxylate derivative [TiCp*Me{(OOCC6H4NH2)(2)] (5). Complex 5 reacts with (BuNC)-Bu-t to render the iminoacyl complex [TiCp*(eta(2)-(MeCNBu)-Bu-t){(OOCC6H4NH2)(2)] (6). The reaction of [TiCp*Cl-3] with the ferroceneacetic acid, gives [TiCp*Cl-2{(OOCCH2-C5H4)FeCp}] (7). The [TiCp*Cl](2)(mu-O)[(OOC-C5H4)(2)Fe] (8) can be obtained by reaction of [TiCp*Cl-3] with [Fe(eta(5)-C5H4-COOH)(2)] in the presence of a base. The molecular structures of 1 and 8 have been established by X-ray diffraction methods. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.10.019