Cas no 958332-97-3 (Ethyl 4-bromoquinoline-6-carboxylate)

Ethyl 4-bromoquinoline-6-carboxylate structure
958332-97-3 structure
Product Name:Ethyl 4-bromoquinoline-6-carboxylate
CAS No:958332-97-3
MF:C12H10BrNO2
MW:280.117302417755
MDL:MFCD19703292
CID:1016139
PubChem ID:66978114
Update Time:2024-10-25

Ethyl 4-bromoquinoline-6-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4-bromoquinoline-6-carboxylate
    • Ethyl 4-bromo-6-quinolinecarboxylate (ACI)
    • ETHYL4-BROMOQUINOLINE-6-CARBOXYLATE
    • AKOS022177981
    • SCHEMBL1285418
    • SB69449
    • DTXSID80736138
    • SY247361
    • AS-41278
    • 958332-97-3
    • CS-0100659
    • MFCD19703292
    • DB-370401
    • MDL: MFCD19703292
    • Inchi: 1S/C12H10BrNO2/c1-2-16-12(15)8-3-4-11-9(7-8)10(13)5-6-14-11/h3-7H,2H2,1H3
    • InChI Key: YSIDFEJBSYYMDZ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C2C(N=CC=C2Br)=CC=1)OCC

Computed Properties

  • Exact Mass: 278.98949g/mol
  • Monoisotopic Mass: 278.98949g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 259
  • 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: 3.3
  • Topological Polar Surface Area: 39.2?2

Ethyl 4-bromoquinoline-6-carboxylate Pricemore >>

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Ethyl 4-bromoquinoline-6-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Phosphoric tribromide Solvents: Dichloromethane ;  1 h, 50 °C; 50 °C → 0 °C
1.2 Reagents: Ammonium hydroxide Solvents: Water ;  3 h, cooled
Reference
Preparation of bicyclic amide derivatives as ion-channel ligands
, World Intellectual Property Organization, , ,

Ethyl 4-bromoquinoline-6-carboxylate Raw materials

Ethyl 4-bromoquinoline-6-carboxylate Preparation Products

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