Cas no 1131587-59-1 (Isobutyl 5-bromo-2-hydroxybenzoate)

Isobutyl 5-bromo-2-hydroxybenzoate is a brominated derivative of salicylic acid esterified with isobutanol. This compound is primarily utilized in organic synthesis and pharmaceutical research due to its functional groups, which offer reactivity for further derivatization. The presence of both a bromo substituent and a hydroxyl group on the aromatic ring enhances its utility in cross-coupling reactions and as an intermediate in bioactive molecule development. Its ester moiety improves solubility in organic solvents, facilitating handling in synthetic applications. The compound's stability under standard conditions ensures reliable performance in laboratory settings. It is commonly employed in the preparation of antimicrobial and anti-inflammatory agents, leveraging its structural features for targeted modifications.
Isobutyl 5-bromo-2-hydroxybenzoate structure
1131587-59-1 structure
Product Name:Isobutyl 5-bromo-2-hydroxybenzoate
CAS No:1131587-59-1
MF:C11H13BrO3
MW:273.123122930527
CID:1030564
PubChem ID:44829026
Update Time:2025-10-13

Isobutyl 5-bromo-2-hydroxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Isobutyl 5-bromo-2-hydroxybenzoate
    • 2-methylpropyl 5-bromo-2-hydroxybenzoate
    • 1131587-59-1
    • Isobutyl5-bromo-2-hydroxybenzoate
    • 2-methylpropyl 5-bromanyl-2-oxidanyl-benzoate
    • DTXSID80661113
    • 5-bromo-2-hydroxybenzoic acid 2-methylpropyl ester
    • A802770
    • DB-319669
    • AKOS015841688
    • Inchi： 1S/C11H13BrO3/c1-7(2)6-15-11(14)9-5-8(12)3-4-10(9)13/h3-5,7,13H,6H2,1-2H3
    • InChI Key： SBBSQDNIXJDYAH-UHFFFAOYSA-N
    • SMILES： BrC1C=CC(=C(C=1)C(=O)OCC(C)C)O

Computed Properties

  • Exact Mass: 272.00481g/mol
  • Monoisotopic Mass: 272.00481g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 218
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.9
  • Topological Polar Surface Area: 46.5?2

Isobutyl 5-bromo-2-hydroxybenzoate Pricemore >>

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