Cas no 914208-15-4 (8-Bromoquinoline-2-carboxylic acid)

8-Bromoquinoline-2-carboxylic acid structure
914208-15-4 structure
Product Name:8-Bromoquinoline-2-carboxylic acid
CAS No:914208-15-4
MF:C10H6BrNO2
MW:252.064141750336
MDL:MFCD08690747
CID:1011963
PubChem ID:33695905
Update Time:2024-10-26

8-Bromoquinoline-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 8-Bromoquinoline-2-carboxylic acid
    • IESLHWGCIUORPV-UHFFFAOYSA-N
    • 8-bromo quinoline-2-carboxylic acid
    • ST24024566
    • Z5330
    • 8-Bromo-2-quinolinecarboxylic acid, AldrichCPR
    • 8-Bromo-2-quinolinecarboxylic acid (ACI)
    • EN300-625795
    • AKOS000320314
    • DTXSID60652822
    • Z1269185149
    • CS-W022562
    • MFCD08690747
    • 8-Bromoquinoline-2-carboxylicacid
    • 914208-15-4
    • SB71464
    • DB-369686
    • SCHEMBL1723184
    • DS-11744
    • MDL: MFCD08690747
    • Inchi: 1S/C10H6BrNO2/c11-7-3-1-2-6-4-5-8(10(13)14)12-9(6)7/h1-5H,(H,13,14)
    • InChI Key: IESLHWGCIUORPV-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC2C(=C(C=CC=2)Br)N=1)O

Computed Properties

  • Exact Mass: 250.95819g/mol
  • Monoisotopic Mass: 250.95819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 234
  • 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: 50.2
  • XLogP3: 2.7

8-Bromoquinoline-2-carboxylic acid Security Information

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8-Bromoquinoline-2-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Acetonitrile ,  Water ;  overnight, pH 9.5, rt
1.2 Reagents: Ethanol
1.3 Reagents: Molybdenum hexacarbonyl ,  Cesium hydroxide Catalysts: Palladate(1-), [2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC]chloro[2′-(dicyclohexylphos… Solvents: 1-Methoxy-2-propanol ,  Water ;  15 h, 80 °C
Reference
Palladium-Catalyzed Hydroxycarbonylation of (Hetero)aryl Halides for DNA-Encoded Chemical Library Synthesis
Li, Jian-Yuan; et al, Bioconjugate Chemistry, 2019, 30(8), 2209-2215

8-Bromoquinoline-2-carboxylic acid Raw materials

8-Bromoquinoline-2-carboxylic acid Preparation Products

8-Bromoquinoline-2-carboxylic acid Related Literature

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