45657-86-1

Usage

Structure

A five-membered carbon ring with two double bonds (2,4-position), a carboxyl group (-COOH) at the 1-position, and a methyl ester group (-OCH3) attached to the carboxyl group.

Appearance

Colorless liquid

Odor

Fruity

Uses

Chemical intermediate in the production of pharmaceuticals, fragrances, and other organic compounds; solvent; synthesis of other chemical compounds.

Health hazards

Potential health hazards; should be handled with caution in controlled environments.

Upstream product

• 67-56-1 methanol 
• 2171-74-6 1,3-benzodioxol-2-one 
• 542-92-7 cyclopenta-1,3-diene 
• 79-22-1 methyl chloroformate 
• 124-38-9 carbon dioxide 

Relevant academic research and scientific papers

[(η-C5H4R)Fe(CO)3]+, R = (CH2)nCO2Me (n = 0-2), and CO 2CH2CH2OH: A new group of CO-releasing molecules

A new group of CO-releasing molecules, CO-RMs, based on cyclopentadienyl iron carbonyls have been identified. X-Ray structures have been determined for [(η-C5H4CO2Me)Fe(CO)2X], X = Cl, Br, I, NO3, CO2Me, [(η-C5H 4CO2Me)Fe(CO)2]2, [(η-C 5H4CO2CH2CH2OH)Fe(CO) 2]2 and [(η-C5H4CO 2Me)Fe(CO)3][FeCl4]. Half-lives for CO release, 1H, 13C, and 17OC NMR and IR spectra have been determined along with some biological data for these compounds, [(η-C 5H4CO2CH2CH2OH)Fe(CO) 3]+ and [{η-C5H4(CH 2)nCO2Me}Fe(CO)3]+, n = 1, 2. More specifically, cytotoxicity assays and inhibition of nitrite formation in stimulated RAW264.7 macrophages are reported for most of the compounds analyzed. [(η-C5H5)Fe(CO)2X], X = Cl, Br, I, were also examined for comparison. Correlations between the half-lives for CO release and spectroscopic parameters are found within each group of compounds, but not between the groups. The Royal Society of Chemistry.

Synthesis of some 1,2-Dihalogenonorbornanes

The synthesis of 1,2exo-dibromo-norbornane as well as the preparation of the configurational isomers of 2-bromo-1-iodo- and 2-chloro-1-iodo-norbornane are described.

Mass Spectra and Pyrolyses of Some Vinylene Carbonates

The mass spectra of a series of 1,3-dioxol-2-ones were examined for evidence of oxirenes in the fragmentation process.The M-cation radical-CO2 (oxirene or isomers) fragment was observed in six of eight samples.Four major pathways explain the mass spectra: M-cation radical-CO2-CO, M-cation radical-C2O3, M-cation radical-C2O2R and M-cation radical-CO-CO2.Metastable peaks support this.Similar pathways on pyrolysis were sought and observed.At 800 deg C and pressure of 1.5-4 mm, 1,3-dioxol-2-ones 1-3 and 5-7 were pyrolyzed in a stream of helium.The major products were, respectively, ketene (R1=R2=H), propene (R1=R2=CH3), fluorene (R1=R2=C6H5), ethene (R1=H, R2=CH3), stilbene (R1=H, R2=C6H5), and styrene (R1=CH3, R2=C6H5).Apparently the 1,3-dioxol-2-ones lose CO2 and CO successively to produce a carbene which either rearranges or dimerizes.