[(N-1-adamantylcarbamoyl)cyclopentadienyl](cyclopentadienyl)dichlorotitanium | 181187-59-7

• 英文名称: [(N-1-adamantylcarbamoyl)cyclopentadienyl](cyclopentadienyl)dichlorotitanium
• CAS: 181187-59-7
• 化学式: C₂₁H₂₅Cl₂NOTi
• 分子量: 426.222
• InChiKey: YTMKZPLCEKLQGE-IDUUMPJYSA-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：
  None

反应信息

• 作为产物：
  描述：

  三氯一茂钛 、 在 C₅H₃(C(O)NHC₁₀H₁₅)C(NHC₁₀H₁₅)ONa 作用下， 以 甲苯 为溶剂， 以28%的产率得到[(N-1-adamantylcarbamoyl)cyclopentadienyl](cyclopentadienyl)dichlorotitanium
  参考文献：
  名称：

  The Isocyanate Route to Cyclopentadienyl-Carboxamide- and Cyclopentadienyl-Amino Ester-Substituted Metallocene Complexes

  摘要：

  Lithium cyclopentadienide adds to a variety of isocyanates [R-N=C=O, R = tert-butyl (a), n-butyl (b), cyclohexyl (c), phenyl (d), 3-pyridyl (e), 2-tetrahydropyranyl (f), adamantyl (g)] to yield the monocarbamoyl-substituted cyclopentadienides C(5)H(4)CONHR(-) 3 admired with varying amounts of the respective 1,2-dicarbamoyl-substituted C5H3(CONHR)(2)(-) systems 4 and a corresponding quantity of the C5H5- Starting material. Subsequent treatment of these reaction mixtures with anhydrous FeCl2 gave the 1,1'-dicarbamoylferrocenes 6 and the corresponding monocarbamoylferrocenes 5, which were easily separated by chromatography. The carbamoylferrocenes 5b, 5c, and 6d were characterized by X-ray crystal structure analyses. The (N-phenyl- and (N-adamantylcarbamoyl)cyclopentadienides were treated with CpTiCl(3) to give the carboxamide-substituted titanocene dichloride complexes [CP(C(5)H(4)CONHR)TiCl2] 8a (R = Ph) and Sh (R = adamantyl), respectively. Complex 8b was also characterized by X-ray diffraction. The valine ester-derived isocyanate reacts with lithium cyclopentadienide to give the N-valinyl-substituted carbamoylcyclopentadienide 3h. Subsequent treatment with FeCl2 or FeCl2/CpLi, respectively, produces the 1,1'-difunctionalized ferrocene 6h or the monofunctionalized ferrocene 5h. Both complexes were characterized by X-ray crystal structure analyses.

  DOI：

  10.1021/om960234k