Cas no 918518-81-7 (3-Benzyl-7-bromo-2-chloroquinoline)

3-Benzyl-7-bromo-2-chloroquinoline is a halogenated quinoline derivative with a benzyl substituent at the 3-position, offering versatile reactivity for synthetic applications. The bromo and chloro functional groups at the 7- and 2-positions, respectively, provide selective sites for further modifications, making it a valuable intermediate in medicinal chemistry and material science. Its rigid quinoline core ensures stability, while the benzyl group enhances solubility in organic solvents, facilitating downstream reactions. This compound is particularly useful in cross-coupling reactions, heterocyclic synthesis, and as a building block for pharmaceuticals or agrochemicals. High purity and well-defined structure ensure reproducibility in research and industrial applications.
3-Benzyl-7-bromo-2-chloroquinoline structure
918518-81-7 structure
Product Name:3-Benzyl-7-bromo-2-chloroquinoline
CAS No:918518-81-7
MF:C16H11BrClN
MW:332.622242212296
MDL:MFCD21092049
CID:773916
PubChem ID:59200512
Update Time:2025-06-07

3-Benzyl-7-bromo-2-chloroquinoline Chemical and Physical Properties

Names and Identifiers

    • Quinoline, 7-bromo-2-chloro-3-(phenylmethyl)-
    • 3-benzyl-7-bromo-2-chloroquinoline
    • 7-Bromo-2-chloro-3-(phenylmethyl)quinoline (ACI)
    • AKOS015958901
    • CS-15248
    • SCHEMBL11982909
    • CS-0011269
    • 918518-81-7
    • DB-099131
    • C13206
    • DTXSID40731245
    • 3-Benzyl-7-bromo-2-chloroquinoline
    • MDL: MFCD21092049
    • Inchi: 1S/C16H11BrClN/c17-14-7-6-12-9-13(16(18)19-15(12)10-14)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
    • InChI Key: YUQCGFZOLAXBGO-UHFFFAOYSA-N
    • SMILES: ClC1C(CC2C=CC=CC=2)=CC2C(=CC(=CC=2)Br)N=1

Computed Properties

  • Exact Mass: 330.97634g/mol
  • Monoisotopic Mass: 330.97634g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 293
  • 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: 12.9
  • XLogP3: 5.8

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 435.9±40.0 °C at 760 mmHg
  • Flash Point: 217.4±27.3 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

3-Benzyl-7-bromo-2-chloroquinoline Security Information

3-Benzyl-7-bromo-2-chloroquinoline Pricemore >>

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3-Benzyl-7-bromo-2-chloroquinoline Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride Solvents: Phosphorus oxychloride ;  5 °C; 5 °C → rt
1.2 rt; 6 h, 85 °C; 85 °C → rt
Reference
Quinoline derivatives as antibacterial agents and their preparation, pharmaceutical compositions and use in the treatment of bacterial infections
, World Intellectual Property Organization, , ,

3-Benzyl-7-bromo-2-chloroquinoline Raw materials

3-Benzyl-7-bromo-2-chloroquinoline Preparation Products

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