3-Chloro-2,4-pentanedione

CAS: 1694-29-7

Ref. 3D-FC35362

Product Information

• Name: 3-Chloro-2,4-pentanedione
• Synonyms: (3Z)-3-chloro-4-hydroxypent-3-en-2-one, 1-Acetyl-1-chloroacetone, 2,4-Pentanedione, 3-chloro-, 3-Chloro-2,4-dioxopentane, 3-Chloro-2,4-pentadione, 3-Chloroacetylacetone, 3-Chloropentan-2,4-dione, α-Chloroacetylacetone
• CAS: 1694-29-7

Description

3-Chloro-2,4-pentanedione is a model system that has been used to study the reaction mechanism of the intramolecular hydrogen transfer. This molecule was found to be more reactive in the presence of sodium carbonate and anhydrous sodium, which is due to protonation of the hydroxyl group on the ethylene diamine. 3-Chloro-2,4-pentanedione reacts with carbon disulphide and ethylene diamine to form 2,5-dimethylhexane-1,6-diol. 3D molecular docking analysis has shown that this compound binds to the ryanodine receptor and may be a potential therapeutic agent for patients with carcinoma cell lines.

• Brand: Biosynth

Chemical properties

• Molecular weight: 134.56 g/mol
• Formula: C₅H₇ClO₂
• Purity: Min. 95%
• Color/Form: Clear Liquid
• InChI: InChI=1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3
• InChI key: InChIKey=VLRGXXKFHVJQOL-UHFFFAOYSA-N
• SMILES: CC(=O)C(Cl)C(C)=O