Description

2,5-Dihydroxy-5-methyl-3-(4-morpholinyl)-2-cyclopenten-1-one (CAS No. 114625-74-0) is a high-purity cyclopentenone derivative with the molecular formula C₁₀H₁₅NO₄. This compound features a unique structural motif combining a morpholine moiety with a dihydroxy-methylated cyclopentenone core, making it a valuable intermediate for synthetic organic chemistry and pharmaceutical research. Available in ≥95% purity by HPLC, this crystalline solid is rigorously characterized by ¹H/¹³C NMR, LC-MS, and elemental analysis. Suitable for use in medicinal chemistry projects, the compound’s reactive enone system and multiple hydroxyl groups offer versatile functionalization potential. Packaged under inert gas in amber glass vials with certificate of analysis, ideal for lead optimization and structure-activity relationship studies.

Properties

• CAS Number: 114625-74-0
• Complexity: 319
• IUPAC Name: 2,5-dihydroxy-5-methyl-3-morpholino-cyclopent-2-en-1-one
• InChI: InChI=1S/C10H15NO4/c1-10(14)6-7(8(12)9(10)13)11-2-4-15-5-3-11/h12,14H,2-6H2,1H3
• InChI Key: RQUYIFOAVPVRMZ-UHFFFAOYSA-N
• Exact Mass: 213.10010796
• Molecular Formula: C10H15NO4
• Molecular Weight: 213.23
• SMILES: CC1(CC(=C(C1=O)O)N2CCOCC2)O
• Topological: 70
• Monoisotopic Mass: 213.10010796
• Synonyms: DTXSID801184267, 2,5-dihydroxy-5-methyl-3-(4-morpholinyl)-2-cyclopenten-1-one, 2-Cyclopenten-1-one, 2,5-dihydroxy-5-methyl-3-(4-morpholinyl)-, DTXCID101615598, 2,5-Dihydroxy-5-methyl-3-(morpholin-4-yl)-2-cyclopenten-1-one, EC 430-170-5, 430-170-5, 114625-74-0, SCHEMBL6306715, RQUYIFOAVPVRMZ-UHFFFAOYSA-N

Application

This morpholine-functionalized cyclopentenone serves as a key building block for designing kinase inhibitors and other bioactive molecules. Researchers utilize its unique structure in fragment-based drug discovery, particularly for targeting protein-protein interactions. The compound’s orthogonal functional groups enable diverse derivatization strategies in medicinal chemistry programs. It has shown utility as a precursor for synthesizing complex heterocyclic systems with potential pharmacological activity.

Safety and Hazards

GHS Hazard Statements

• H302: Harmful if swallowed [Warning Acute toxicity, oral]
• H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P264, P270, P273, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute toxicity – category 4
• Hazardous to the aquatic environment – category 3

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