troticenyl iodide | 1350721-75-3

• 英文名称: troticenyl iodide
• 英文别名: iodotroticene；[(η⁷-C₇H₇)Ti(η⁵-C₅H₄I)]；(η7-cycloheptatrienyl)Ti(η5-C5H4I)
• CAS: 1350721-75-3
• 化学式: C₁₂H₁₁ITi
• 分子量: 330.004
• InChiKey: OFPPSQMJFMQQIW-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  troticenyl iodide 、 pentamethyltroticenyl zinc chloride 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以21%的产率得到[(η⁷-C₇H₇)Ti{μ-η⁵:η⁷-(C₅H₄-C₇H₆)}Ti(η⁵-C₅Me₅)]
  参考文献：
  名称：

  单-和[（η的Dilithiation 7 -C 7 ħ 7（η）的Ti 5 -C 5我5）]（Pentamethyltroticene）为Troticenyl Monophosphanes的合成和[2]与Troticenophanes C-P和C-Si桥

  摘要：

  Pentamethyltroticene，[（η 7 -C 7 ħ 7）的Ti（η 5 -C 5我5）]（1），能够在C被选择性地金属化7 ħ 7环或两者的C 5我5和C 7 ħ 7环使用PMDTA / ñ丁基锂或PMDTA /吨丁基锂的混合物（PMDTA = ñ，ñ '，ñ '，ñ “，ñ在1/1和1/4的比率” -五甲基）表示。所述单-和二锂化物种[（η 7-C 7 ħ 6 Li）的钛（η 5 -C 5我5）]·PMDTA（2）和[（η 7 -C 7 ħ 6 Li）的钛（η 5 -C 5我4 CH 2栗）]·以高收率分离出pmdta（3），并通过NMR光谱和元素分析对其进行表征。化合物2是用于合成pentamethyltroticenyl monophosphane [（η 7 -C 7 ħ 6 PPH 2）的Ti（η 5 -C 5我5）]（4）通过的Ph反应2 PCL，而3用RPCL处理2（R

  DOI：

  10.1021/om300927r
• 作为产物：
  描述：

  1,2-二碘乙烷 、 [(η7-cycloheptatrienyl)Ti(η5-C5H4Li)]*(N,N',N',N'',N''-pentamethyldiethylenetriamine) 以 正己烷 为溶剂， 以56%的产率得到troticenyl iodide
  参考文献：
  名称：

  Preparation and characterization of Cp-functionalized cycloheptatrienyl–cyclopentadienyl titanium sandwich complexes (troticenes)

  摘要：

  Cp-functionalized monotroticenes [(eta(7)-C7H7)Ti(eta(5)-C5H4E)] (2, E = Ph2SiCl; 3, E = tBu(2)SnCl; 12, E = I) and bitroticenes [(eta(7)-C7H7)Ti(eta(5)-C5H4)](2)E' (5, E' = PPh; 6, E' = BN(SiMe3)(2); 7, E' = Cp2Ti) were prepared by salt elimination metathesis between the monolithiated troticene [(eta(7)-C7H7)Ti(eta(5)-C5H4Li)]center dot pmdta (1b) (pmdta N,N',N',N '',N ''-pentamethyldiethylene-triamine) and the appropriate electrophile. The troticenyl-substituted zirconocene monochloride [(eta(7)-C7H7)Ti(eta(5)-C5H4ZrClCp*(2))] (Cp* = eta(5)-C5Me5) (8) and hafnocene ethoxide [(eta(7)-C7H7)Ti{eta(5)-C5H4Hf(OEt)Cp-2}] (Cp = eta(5)-C5H5) (11), and the heterobimetallic mu-oxo complexes [(eta(7)-C7H7)Ti(eta(5)-C5H4MCp2)](2)O (9, M = Zr; 10, M = Hf) were obtained instead of the expected zircona- and hafna[1]troticenophanes by reaction of the dilithiated troticene [(eta(7)-C7H6Li)Ti(eta 5-C5H4Li)]center dot pmdta (1a) with [Cp2MCl2] (M = Zr, Hf) or [Cp*2ZrCl2] in stoichiometric amounts. These compounds were characterized by single crystal X-ray diffraction analyses and, in the case of 2, 3, 5-7, 9, 10 and 12, also by elemental analyses and H-1, C-13 and Sn-119 NMR spectroscopy. Exposure of the troticenyl organotin chloride 3 to moisture resulted in its partial hydrolysis and formation of the organostannoxane-bridged bitroticene 4, while palladium-catalyzed Negishi C-C cross-coupling reaction between the troticenylzinc chloride [(eta(7)-C7H7)Ti(eta(5)-C5H4ZnCl)] (13) and the iodotroticene 12 or iodobenzene (PhI) led to the fulvalene complexes [(eta(7)-C7H7)Ti(eta(5)-C5H4)](2) (14) and [(eta(7)-C7H7)Ti(eta(5)-C5H4Ph)] (15). Compound 4 displays an unsymmetrical structure with the troticenyl fragments cis with respect to the Sn-O-Sn core, whereas compound 14 is centrosymmetrically trans oriented. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.10.005