cis-TiCl4(5-phenyl-4H-tetrazole-κN(2))2 | 683270-45-3

• 英文名称: cis-TiCl4(5-phenyl-4H-tetrazole-κN(2))2
• 英文别名: cis-TiCl4(5-Ph-4H-tz-κN(2))2；TiCl4(5-phenyltetrazole)2
• CAS: 683270-45-3
• 化学式: C₁₄H₁₂Cl₄N₈Ti
• 分子量: 481.995
• InChiKey: JPKABCJMRBSMAI-UHFFFAOYSA-J

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：

  5-苯基四氮唑 、 二氯甲烷 、 四氯化钛 以 二氯甲烷 为溶剂， 以94%的产率得到cis-TiCl4(5-phenyl-4H-tetrazole-κN(2))2
  参考文献：
  名称：

  Routes to titanium tetrazole complexes

  摘要：

  The titanium tetrazole coordination complex [TiCl4 (.) (PhCN4H)(2)] has been prepared by treatment of TiCl4 with two equivalents of 5-phenyltetrazole in dichloromethane and spectroscopically and crystallographically characterised. The solid-state structure of this compound consists of six-coordinate titanium centres with cis ligated tetrazoles. The individual [TiCl4 (.) (PhCN4H)(2)] dimerise via intermolecular (NH)-H-...-N hydrogen bonding interactions and are further organised into 2D supramolecular arrays. Mass spectral evidence indicates that the individual tetrazole ligands are only weakly bound, limiting the potential of this complex as a titanium nitride precursor. 3 + 2 cycloaddition of tributyltin azide with 2-toluinitrile at 200 degreesC has afforded the tributylstannyl tetrazole [SnBu3{ 5-(2-MeC6H4)CN4}](n) Crystallographic analysis shows that this compound exists as a supramolecular coordination polymer propagated via trigonal bipyramidal tin centres linked by N-1-Sn-N-3 interactions. Preliminary reactivity studies of this tin complex with titanium tetrachloride in an effort to synthesise a covalently bound titanium tetrazolyl complex have thus far yielded incomplete elimination of the expected Bu3SnCl by-product and intractable titanium-containing products. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2003.11.047