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3D model (JSmol)
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ChemSpider | |
PubChem CID
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CompTox Dashboard (EPA)
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Properties | |
C13H22 | |
Molar mass | 178.319 g·mol−1 |
Boiling point | 100–105 °C (212–221 °F; 373–378 K) 30 torr |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Di-tert-butylcyclopentadiene is an organic compound with the formula (Me3C)2C5H4, where Me = methyl. It is a colorless liquid that is soluble in organic solvents. The compound is the conjugate acid of the di-tert-butylcyclopentadienyl ligand, (Me3C)2C5H3−[1] (sometimes abbreviated Cp‡−). Two regioisomers of di-tert-butylcyclopentadiene exist, depending on the relative location of the double bonds.
Di-tert-butylcyclopentadiene is prepared by alkylation of cyclopentadiene with tert-butyl bromide under phase-transfer conditions.[2]
It is the precursor to many metal complexes, such as the olefin polymerization catalyst ((Me3C)2C5H3)TiCl3.[3]
The conjugate base of di-tert-butylcyclopentadiene reacts with a third equivalent of tert-butyl bromide to give (Me3C)3C5H3: