bis-([2-(4-((1-(2-(1-methoxy-1-oxo-3-phenylpropan-2-ylamino)-2-oxoethyl)-1H-1,2,3-triazol-4-yl)methoxy)-benzyl)]-cyclopentadienyl) titanium(IV) dichloride | 1331753-66-2

• 英文名称: bis-([2-(4-((1-(2-(1-methoxy-1-oxo-3-phenylpropan-2-ylamino)-2-oxoethyl)-1H-1,2,3-triazol-4-yl)methoxy)-benzyl)]-cyclopentadienyl) titanium(IV) dichloride
• CAS: 1331753-66-2
• 化学式: C₅₄H₅₄Cl₂N₈O₈Ti
• 分子量: 1061.86
• InChiKey: NHRCFHCBJCVNKT-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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  N-(azidoacetyl)-L-phenylalanine methyl ester 、 bis-[p-(prop-2-ynyloxy)-benzyl-cyclopentadienyl] titanium(IV) dichloride 在 catalyst: CuI/2,6-lutidine 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 以48%的产率得到bis-([2-(4-((1-(2-(1-methoxy-1-oxo-3-phenylpropan-2-ylamino)-2-oxoethyl)-1H-1,2,3-triazol-4-yl)methoxy)-benzyl)]-cyclopentadienyl) titanium(IV) dichloride
  参考文献：
  名称：

  Towards peptide-substituted titanocene anticancer drugs

  摘要：

  An alkyne-substituted fulvene was transformed via hydridolithiation followed by transmetallation with titanium tetrachloride into bis-[p-(prop-2-ynyloxy)-benzyl-cyclopentadienyl] titanium(IV) dichloride. Single crystals of this titanocene derivative could be obtained and the structure determined by X-ray diffraction. It showed that this compound crystallises in the space group C2/c with four molecules in the monoclinic cell. The alkyne-substituted titanocene dichloride derivative was then subject to a copper-catalysed azide-alkyne cycloaddition with its azide-functionalised methylester-protected phenylalanine reaction partner in order to form a linking triazole. This reaction was performed under anhydrous conditions employing a dichloromethane/acetonitrile solvent mixture with copper(I) iodide and 2,6-lutidine as the catalyst system. Under these conditions the adduct between the protein mimic and the titanocene was formed without hydrolysing the titanium dichloride moiety. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.05.036