ansa-[Ti(III)(η3:η5:η5-C5(CH3)4Si(CH3)2CHCHCHCH2Si(CH3)2C5(CH3)4)] | 443889-09-6

• 英文名称: ansa-[Ti(III)(η3:η5:η5-C5(CH3)4Si(CH3)2CHCHCHCH2Si(CH3)2C5(CH3)4)]
• CAS: 443889-09-6
• 化学式: C₂₆H₄₁Si₂Ti
• 分子量: 457.663
• InChiKey: SICNLTMLCNOVAP-IERUDJENSA-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：

  ansa-[Ti(III)(η3:η5:η5-C5(CH3)4Si(CH3)2CHCHCHCH2Si(CH3)2C5(CH3)4)] 、 水 以 甲苯 为溶剂， 以61%的产率得到ansa-[Ti(hydroxyl)(η5:η5-C5(CH3)4Si(CH3)2CH2CHCHCH2Si(CH3)2C5(CH3)4)]
  参考文献：
  名称：

  Unsaturated SiC 4 H 6 Si-bridged ansa -permethyltitanocene(Ti III ) acetylide and hydroxide

  摘要：

  Paramagnetic complexes ansa-[Ti(CCCMe3){eta(5):eta(5)-C5Me4SiMe2CH=CHCH2CH2SiMe2C5Me4}] (1) and ansa-[Ti(OH){eta(5):eta(5)-C5Me4SiMe2CH2CH=CHCH2SiMe2C5Me4}] (2) were prepared by reactions of ansa-[Ti(III){eta(3):eta(5):eta(5)-C5Me4SiMe2-CHCHCHCH2SiMe2C5Me4}] (3) with t-butylethyne or water, respectively. The X-ray single crystal diffraction analysis of 1 and 2 showed that the cis-double bond is situated asymmetrically in the ansa-bridge of 1 whereas, in 2, the double bonds is trans, and lies in the bridge centre. ESR and UV-near IR spectra indicated a weaker oxygen pi-eletron donation into the Ti-O bond of 2 compared to analogous methoxide ansa-[Ti(III)(OMe){eta(5):eta(5)-C5Me4SiMe2CH2CH=CHCH2SiMe2C5Me4}] (4) or decamethyltitanocene hydroxide (5). (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2004.03.028