768-63-8

Basic information

• Product Name: 1,2,4-trioxolane, 3-pentyl-
• Synonyms: 3-Pentyl-1,2,4-trioxolane
• CAS NO: 768-63-8
• Molecular Formula: C₇H₁₄O₃
• Molecular Weight: 146.1843
• Mol File: 768-63-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 165.852°C at 760 mmHg
• Flash Point: 47.415°C
• Density: 0.981g/cm³
• Vapor Pressure: 2.416mmHg at 25°C
• Refractive Index: 1.415
• CAS DataBase Reference: 1,2,4-trioxolane, 3-pentyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2,4-trioxolane, 3-pentyl-(768-63-8)
• EPA Substance Registry System: 1,2,4-trioxolane, 3-pentyl-(768-63-8)

Safety Data

• Hazardous Substances Data: 768-63-8(Hazardous Substances Data)

Usage

Chemical class

Organic compound

Subclass

Peroxanes

Usage

Antimalarial drug

Structure

Cyclic

Composition

Three oxygen atoms, one pentyl group

Antimalarial properties

Disruption of Plasmodium parasite membrane

Advantage

Potent activity against drug-resistant strains of Plasmodium

Status

Promising alternative to existing antimalarial drugs

Research needs

Further investigation into mechanism of action and potential side effects

Upstream product

• 592-76-7 1-Heptene 

Relevant articles and documents

Conformations of 1-heptene secondary ozonide as studied by low temperature FT-IR spectroscopy

Conformational diversity of the 1-heptene secondary ozonides (SOZ) in solid neat films as well as isolated in Ar or CO2 matrices was studied by the means of FT-IR absorption spectroscopy. The ozonization reaction was performed at 77 K in the neat films of the reactants. The spectra of the ozonide were analyzed by combining the experimental data with the results of theoretical calculations performed at B3LYP 6-311++G (3df, 3pd) level. It was found that the samples of 1-heptene secondary ozonide exist as a mixture of three dominating conformers. The most stable conformer is the one with O-O half-chair configuration of the five membered ring, the aliphatic radical attached to the ring in equatorial position and the aliphatic chain being in gauche (∠OCCC ≈ -60°) position. The other two stable conformers are equatorial with aliphatic chain in anti (∠OCCC ≈ 180°) and gauche (∠OCCC ≈ 60°) positions. It was found from Van't Hoff plots that ΔH of the equatorial anti conformer is equal to 0.24 ± 0.03 kJ/mol. The experimental value of ΔH is in reasonable accordance to the calculated one - 0.5 kJ/mol.