4045-52-7

Basic information

• Product Name: 1,3-Cyclopentadiene, 2,5-dimethyl-
• CAS NO: 4045-52-7
• Molecular Formula: C7H10
• Molecular Weight: 94.1564
• Mol File: 4045-52-7.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1,3-Cyclopentadiene, 2,5-dimethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Cyclopentadiene, 2,5-dimethyl-(4045-52-7)
• EPA Substance Registry System: 1,3-Cyclopentadiene, 2,5-dimethyl-(4045-52-7)

Safety Data

• Hazardous Substances Data: 4045-52-7(Hazardous Substances Data)

Usage

General Description

1,3-Cyclopentadiene, 2,5-dimethyl- is a chemical compound with the molecular formula C7H10. It is a derivative of cyclopentadiene, a highly reactive diene. The 2,5-dimethyl- substitution on the cyclopentadiene ring gives this compound unique physical and chemical properties. It is often used as a starting material for the synthesis of various organic compounds, including pharmaceuticals, pesticides, and polymers. 1,3-Cyclopentadiene, 2,5-dimethyl- is also a common building block in the synthesis of complex organic molecules in laboratory research. Additionally, it is used as a ligand in organometallic chemistry and in the development of new catalysts for chemical reactions.

Upstream product

• 23685-97-4 1,3-dimethylcyclopent-2-en-1-ol 
• 2758-18-1 3-Methyl-2-cyclopenten-1-one 
• 5194-51-4 (2E,4E)-hexa-2,4-diene 

Relevant articles and documents

Production of alkali metal cyclopentadienylide and production of dihalobis ( eta -substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide

A process for producing an alkali metal cyclopentadienylide is disclosed which comprises reacting in a solvent an alkali metal hydride with a disubstituted or trisubstituted 1,3-cyclopentadiene. Further, a process for producing a dihalobis( eta -substituted-cyclopentadienyl)zirconium is disclosed which comprises reacting a zirconium halide with the above alkali metal cyclopentadienylide. The former process enables performing the reaction between the disubstituted or trisubstituted 1,3-cyclopentadiene and the alkali metal hydride at an easily controllable temperature of room temperature to about 150 DEG C. and also enables obtaining the alkali metal cyclopentadienylide in high yield. The latter process enables obtaining the dihalobis( eta -substituted-cyclopentadienyl)zirconium in high yield.

An Electron Spin Resonance Study of the Methylcyclopentadienyl Radicals, MenH5-nC5 (n=1-5)

The radicals MenC5H5-n have been generated by photolysis of the corresponding hydrocarbons (n=3-5) or mercury derivatives (n=0-5) and their e.s.r. spectra have been recorded.The spectra are interpreted in terms of thermal population of the ψA and ψS molecular orbitals, for which the predicted hyperfine coupling constants are calculated by the McLachlan equation, taking λ 0.75 and Q(C5H5) -30 and Q(Me5C5) 31.85 G.The energy separations between the ψA and ψS MOs can be rationalised on the assumption that a methyl substituent on a carbon atom of the cyclopentadienyl carrying a unit ?-electron has a destablising interaction, within a factor of two, of 10 kJ mol-1.