[Ti(η5-C5Me5)2(κ2-O,O'-dimethylmalonato)] | 891760-93-3

• 英文名称: [Ti(η5-C5Me5)2(κ2-O,O'-dimethylmalonato)]
• CAS: 891760-93-3
• 化学式: C₂₅H₃₆O₄Ti
• 分子量: 448.438
• InChiKey: VKGYVJICTBYOKY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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反应信息

• 作为产物：
  描述：

  (C5Me5)2Ti(η(2)-bis(trimethylsilyl)acetylene) 、 二甲基丙二酸 以 四氢呋喃 为溶剂， 以72%的产率得到[Ti(η5-C5Me5)2(κ2-O,O'-dimethylmalonato)]
  参考文献：
  名称：

  Syntheses and characterization of titanium malonato and amino acid complexes: [Ti(cp∗)2(OOCCH2NMe2)] – The first structurally characterized α-amino acid titanium(III) complex

  摘要：

  The reaction of [Ti(cp*)(2)(BTMSA)] (1) (cp* = eta(5)-C5Me5, BTMSA = bis(trimethylsilyl)acetylene) with malonic acids ((HOOC)(2)CR2, R H, Me) and N,N-dimethylglycine resulted in the formation of titanium(IV) dicarboxylato complexes [Ti(cp*)(2){(OOC)(2)CR2}] (R H, 2; R = Me, 3) and an alpha-amino acid titanium(III) complex [Ti(cp*)(2)(OOCCH2NMe2)] (4). The identities of complexes 2-4 were confirmed by microanalysis, H-1 and C-13 NMR spectroscopy (2, 3), ESI-MS and CID experiments (2, 3) as well as by ESR and magnetic measurements (mu(eff) = 1.81, 298 K) for 4. Single X-ray diffraction analyses of 2 and 4 exhibited monomolecular complexes in which the titanium atom is distorted tetrahedrally coordinated by two eta(5)-C5Me5 rings and by the chelating bound malonato-kappa O-2,O' (2) and N,N=dimethylglycinato-kappa(2) O,O' ligand (4). (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.01.040