Description

5-(2-Bromo-1-oxobutyl)-8-hydroxy-2(1H)-quinolinone (CAS: 59827-93-9) is a high-purity brominated quinolinone derivative with the molecular formula C₁₃H₁₂BrNO₃. This compound features a unique bromobutanoyl substitution at the 5-position and a hydroxyl group at the 8-position of the quinolin-2-one scaffold, making it a valuable intermediate for synthetic organic chemistry and pharmaceutical research. Its IUPAC name is 5-(2-bromobutanoyl)-8-hydroxy-1H-quinolin-2-one, and it is characterized by its crystalline solid form, moderate solubility in polar organic solvents, and potential reactivity as an electrophile in coupling reactions. Suitable for researchers exploring heterocyclic chemistry, kinase inhibitors, or bioactive molecule synthesis, this compound is supplied with comprehensive analytical data (HPLC, NMR, MS) to ensure quality and reproducibility.

Properties

• CAS Number: 59827-93-9
• Complexity: 382
• IUPAC Name: 5-(2-bromobutanoyl)-8-hydroxy-1H-quinolin-2-one
• InChI: InChI=1S/C13H12BrNO3/c1-2-9(14)13(18)8-3-5-10(16)12-7(8)4-6-11(17)15-12/h3-6,9,16H,2H2,1H3,(H,15,17)
• InChI Key: XWOOUIQZGIEBND-UHFFFAOYSA-N
• Exact Mass: 309.00006
• Molecular Formula: C13H12BrNO3
• Molecular Weight: 310.14
• SMILES: CCC(C(=O)C1=C2C=CC(=O)NC2=C(C=C1)O)Br
• Topological: 66.4
• Monoisotopic Mass: 309.00006
• Synonyms: 59827-93-9, 5-(2-Bromo-1-oxobutyl)-8-hydroxy-2(1H)-quinolinone, 5-(2-bromobutanoyl)-8-hydroxy-1H-quinolin-2-one, 5-(2-Bromobutanoyl)-8-hydroxyquinolin-2(1H)-one, 5-(2-Bromo-1-oxobutyl)-8-hydroxy-2(1H)-quinolinone (ACI), starbld0015896, SCHEMBL28422620, XWOOUIQZGIEBND-UHFFFAOYSA-N, 5-(alpha-bromobutyryl)-8-hydroxycarbostyril, DB-113440

Application

This compound serves as a versatile building block in medicinal chemistry, particularly in the synthesis of quinoline-based kinase inhibitors or antimicrobial agents. Researchers may employ it in palladium-catalyzed cross-coupling reactions to introduce the bromobutanoyl moiety into complex scaffolds. Its hydroxyl and ketone functionalities also allow for further derivatization, such as etherification or condensation reactions, enabling the development of novel bioactive molecules.

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