Cas no 1131587-58-0 (Ethyl 5-bromo-2-(dimethylamino)benzoate)

Ethyl 5-bromo-2-(dimethylamino)benzoate is a brominated aromatic ester featuring a dimethylamino substituent, commonly utilized as an intermediate in organic synthesis and pharmaceutical research. Its molecular structure, combining an electron-donating dimethylamino group and an electron-withdrawing ester moiety, enhances its reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings. The bromine atom at the 5-position offers a versatile handle for further functionalization. This compound is valued for its stability under standard conditions and its compatibility with a range of synthetic transformations. It is particularly useful in the development of bioactive molecules and advanced materials, where precise structural modification is required.
Ethyl 5-bromo-2-(dimethylamino)benzoate structure
1131587-58-0 structure
Product Name:Ethyl 5-bromo-2-(dimethylamino)benzoate
CAS No:1131587-58-0
MF:C11H14BrNO2
MW:272.138362407684
MDL:MFCD11110843
CID:1030568
PubChem ID:44829034
Update Time:2025-10-28

Ethyl 5-bromo-2-(dimethylamino)benzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-bromo-2-(dimethylamino)benzoate
    • AK133797
    • CTK8E2028
    • ethyl 5-bromanyl-2-(dimethylamino)benzoate
    • FT-0653127
    • KB-145517
    • SBB068155
    • A802769
    • DTXSID10661121
    • AKOS015843541
    • 5-bromo-2-(dimethylamino)benzoic acid ethyl ester
    • 1131587-58-0
    • DB-060302
    • Ethyl5-bromo-2-(dimethylamino)benzoate
    • MDL： MFCD11110843
    • Inchi： 1S/C11H14BrNO2/c1-4-15-11(14)9-7-8(12)5-6-10(9)13(2)3/h5-7H,4H2,1-3H3
    • InChI Key： OMGYDCLDEJDEDP-UHFFFAOYSA-N
    • SMILES： BrC1C=CC(=C(C(=O)OCC)C=1)N(C)C

Computed Properties

  • Exact Mass: 271.02079g/mol
  • Monoisotopic Mass: 271.02079g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 221
  • 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: 3
  • Topological Polar Surface Area: 29.5?2

Ethyl 5-bromo-2-(dimethylamino)benzoate Pricemore >>

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