Cas no 745784-05-8 (2-Bromoquinoline-3-boronic acid)

2-Bromoquinoline-3-boronic acid is a versatile boronic acid derivative widely used in Suzuki-Miyaura cross-coupling reactions, a key method for forming carbon-carbon bonds in synthetic organic chemistry. The bromine substituent at the 2-position enhances its reactivity, enabling selective functionalization, while the boronic acid group at the 3-position facilitates efficient palladium-catalyzed coupling with aryl or vinyl halides. This compound is particularly valuable in pharmaceutical and materials science research for constructing complex heterocyclic frameworks. Its stability under standard handling conditions and compatibility with diverse reaction conditions make it a reliable intermediate for synthesizing quinoline-based derivatives with high precision.
2-Bromoquinoline-3-boronic acid structure
745784-05-8 structure
Product Name:2-Bromoquinoline-3-boronic acid
CAS No:745784-05-8
MF:C9H7BBrNO2
MW:251.872381448746
MDL:MFCD05664125
CID:93011
PubChem ID:17750871
Update Time:2025-06-07

2-Bromoquinoline-3-boronic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Bromoquinoline-3-boronic acid
    • (2-bromoquinolin-3-yl)boronic acid
    • FT-0690266
    • AB22292
    • DTXSID20590736
    • FD10149
    • AKOS015950254
    • AS-60744
    • 2-BROMOQUINOLINE-3-BORONICACID
    • CS-0174030
    • VEB78405
    • 745784-05-8
    • C9H7BBrNO2
    • 2-BROMOQUINOLIN-3-YLBORONIC ACID
    • DB-074847
    • MDL: MFCD05664125
    • Inchi: 1S/C9H7BBrNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H
    • InChI Key: RUDILYIFXMOEIO-UHFFFAOYSA-N
    • SMILES: BrC1=C(B(O)O)C=C2C=CC=CC2=N1

Computed Properties

  • Exact Mass: 250.97500
  • Monoisotopic Mass: 250.97532g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 205
  • 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
  • Topological Polar Surface Area: 53.4?2

Experimental Properties

  • Density: 1.71
  • Melting Point: 144-147°C
  • Boiling Point: 448.7°C at 760 mmHg
  • Flash Point: 225.2°C
  • Refractive Index: 1.691
  • PSA: 53.35000
  • LogP: 0.67710

2-Bromoquinoline-3-boronic acid Security Information

  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S37
  • Risk Phrases:R36/37/38
  • Safety Term:26-37

2-Bromoquinoline-3-boronic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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