n-butyl cyclopentadiene
1-(n-C4H9)C5H5
zirconium(IV) chloride
bis(n-butylcyclopentadienyl)zirconium dichloride
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran; 1,2-dimethoxyethane; hexane 1:1 mixt. of 1- and 2-(n-C4H9)C5H5 was dissolved in THF and treated with n-BuLi in hexane followed by ZrCl4 in glyme; recrystd. from heptane; elem. anal.; | 68% |
lithium aluminium tetrahydride
bis(n-butylcyclopentadienyl)zirconium dichloride
(n-BuCp)2ZrH3AlH2
Conditions | Yield |
---|---|
In diethyl ether (inert atmosphere); a soln. of Zr complex stirred at 0°C, LiAlH4 in Et2O added, allowed to warm to room temp.; filtered, evapd.; | 99% |
In diethyl ether byproducts: LiCl; suspn. of (nBuCp)2ZrCl2 (3.2 mmol) in ether prepared in Schlenk flask under Ar; soln. of LiAlH4 (7.07 mmol) in ether added (0°C); kept (30 min, 0°C); filtered; concd. to dryness (vac.); extd. into toluene; filtered; concd.to dryness (vac.); |
bis(n-butylcyclopentadienyl)zirconium dichloride
zirconium(IV) chloride
Conditions | Yield |
---|---|
In toluene at 120℃; for 16h; Schlenk technique; | 99% |
bis(n-butylcyclopentadienyl)zirconium dichloride
zirconium(IV) chloride
(2-butylcyclopenta-2,4-dienyl)zirconium(IV) chloride
Conditions | Yield |
---|---|
In toluene at 20℃; for 20h; Heating / reflux; | 87% |
bis(n-butylcyclopentadienyl)zirconium dichloride
silver(I) perfluorooctane sulfonate
water
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 2h; Darkness; Inert atmosphere; | 65% |
bis(n-butylcyclopentadienyl)zirconium dichloride
hex-3-yne
2-n-butyl-4,5,6,7-tetraethylindene
Conditions | Yield |
---|---|
Stage #1: bis(n-butylcyclopentadienyl)zirconium dichloride With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: hex-3-yne In tetrahydrofuran; hexane at -78 - 20℃; Stage #3: With titanium tetrachloride In tetrahydrofuran; hexane at 20℃; for 3h; | 17% |
bis(n-butylcyclopentadienyl)zirconium dichloride
trideuteriomethyl-lithium
Conditions | Yield |
---|---|
In diethyl ether according to Samuel, E.; Rausch, M.D. J.Am. Chem. Soc. 1973, 96, 6263; quenched by Me3SiCl, isolated by extn. wiht hexane, purity was verified by NMR and mass spectroscopy; |
bis(n-butylcyclopentadienyl)zirconium dichloride
trimethylaluminum
(Cp-n-Bu)2ZrClMe
Conditions | Yield |
---|---|
In (2)H8-toluene at 20°C; not isolated, detected by NMR; |
bis(n-butylcyclopentadienyl)zirconium dichloride
trimethylaluminum
Conditions | Yield |
---|---|
In (2)H8-toluene at 20°C; not isolated, detected by NMR; |
The Bis(n-butylcyclopentadienyl)zirconium dichloride, with CAS registry number 73364-10-0, belongs to the following product categories: (1)Classes of Metal Compounds; (2)Metallocenes; (3)Titanocene, etc.; (4)Transition Metal Compounds; (5)Zr (Zirconium) Compounds; (6)Catalysis and Inorganic Chemistry; (7)Chemical Synthesis; (8)Zirconium. It has the systematic name of 1-butylcyclopentane-1,2,3,4,5-pentayl - dichlorozirconium (2:1). Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. And this chemical is a kind of white crystalline powder or needles.
When you are using this chemical, please be cautious about it as the following:
The Bis(n-butylcyclopentadienyl)zirconium dichloride may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: CCCC[C]1[CH][CH][CH][CH]1.CCCC[C]1[CH][CH][CH][CH]1.Cl[Zr]Cl
(2)InChI: InChI=1/2C9H13.2ClH.Zr/c2*1-2-3-6-9-7-4-5-8-9;;;/h2*4-5,7-8H,2-3,6H2,1H3;2*1H;/q;;;;+2/p-2/r2C9H13.Cl2Zr/c2*1-2-3-6-9-7-4-5-8-9;1-3-2/h2*4-5,7-8H,2-3,6H2,1H3
(3)InChIKey: KZUKCLOWAMFDDB-YCMWFCACAU
(4)Std. InChI: InChI=1S/2C9H13.2ClH.Zr/c2*1-2-3-6-9-7-4-5-8-9;;;/h2*4-5,7-8H,2-3,6H2,1H3;2*1H;/q;;;;+2/p-2
(5)Std. InChIKey: KZUKCLOWAMFDDB-UHFFFAOYSA-L
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