Cas no 928839-62-7 (5-Bromoquinoline-8-carboxylic acid)

5-Bromoquinoline-8-carboxylic acid structure
928839-62-7 structure
Product Name:5-Bromoquinoline-8-carboxylic acid
CAS No:928839-62-7
MF:C10H6BrNO2
MW:252.064141750336
MDL:MFCD19689072
CID:1011981
PubChem ID:59292860
Update Time:2024-10-26

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

Names and Identifiers

    • 5-Bromoquinoline-8-carboxylic acid
    • 8-Quinolinecarboxylic acid, 5-bromo-
    • SMDUUZMMJKRMDS-UHFFFAOYSA-N
    • 5-bromo-quinoline-8-carboxylic acid
    • BC005088
    • AB0027705
    • W9570
    • ST24029432
    • Z1741980400
    • 2,2-(2-(mesitylamino)-2-oxoethylazanediyl)diacetic acid
    • 5-Bromo-8-quinolinecarboxylic acid (ACI)
    • 5-Bromoquinoline-8-carboxylicacid
    • SB71537
    • Z1269239709
    • DTXSID10731459
    • SCHEMBL1126280
    • AKOS016001750
    • DB-368633
    • SY107719
    • MFCD19689072
    • CS-W019095
    • EN300-128209
    • 928839-62-7
    • DS-13129
    • MDL: MFCD19689072
    • Inchi: 1S/C10H6BrNO2/c11-8-4-3-7(10(13)14)9-6(8)2-1-5-12-9/h1-5H,(H,13,14)
    • InChI Key: SMDUUZMMJKRMDS-UHFFFAOYSA-N
    • SMILES: O=C(C1C2C(=CC=CN=2)C(Br)=CC=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: 2.4

5-Bromoquinoline-8-carboxylic acid Security Information

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5-Bromoquinoline-8-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Water ;  5 °C; 48 h, 25 - 30 °C
Reference
Method for preparing quinoline derivatives
, China, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Oxygen Catalysts: Cobalt diacetate ,  Copper oxide (CuO) ,  Tin tetrachloride Solvents: tert-Butanol ;  reflux; 7.5 h, reflux
Reference
Method for preparing 8-quinoline carboxylic acid and its derivatives
, China, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Chromium trioxide ,  Sulfuric acid Solvents: Water ;  2 h, 90 °C
Reference
Allosteric inhibitors of hepatitis C virus NS5B polymerase thumb domain site II: Structure-based design and synthesis of new templates
Malancona, Savina; Donghi, Monica; Ferrara, Marco; Martin Hernando, Jose I.; Pompei, Marco; et al, Bioorganic & Medicinal Chemistry, 2010, 18(8), 2836-2848

Production Method 4

Reaction Conditions
1.1 Reagents: Chromium trioxide ,  Sulfuric acid Solvents: Water ;  2 h, 90 °C
1.2 Reagents: Water ;  cooled
Reference
Preparation of quinazolines as antivirals for treatment of hepatitis C viral (HCV) infection.
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Water ;  0 °C
1.2 Reagents: Chromium trioxide ;  70 °C; 1 h, 70 °C; 2.5 h, 80 °C; 80 °C → rt
1.3 Reagents: Water ;  0 °C
Reference
Preparation of substituted quinolinecarboxylic acids as CCR6 modulators
, World Intellectual Property Organization, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Silver nitrate Solvents: Tetrahydrofuran ,  Water ;  10 min, rt; 30 min, rt
Reference
Preparation of heterocyclic carboxamides as modulators of kinase activity
, World Intellectual Property Organization, , ,

Production Method 7

Reaction Conditions
1.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1) Solvents: Pyridine ,  Water ;  10 min, 110 °C
Reference
Preparation of quinoline and quinoxaline derivatives as protein tyrosine kinase inhibitors
, World Intellectual Property Organization, , ,

5-Bromoquinoline-8-carboxylic acid Raw materials

5-Bromoquinoline-8-carboxylic acid Preparation Products

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