Cas no 1133115-70-4 (Methyl 4-chloro-7,8-dimethylquinoline-2-carboxylate)

Methyl 4-chloro-7,8-dimethylquinoline-2-carboxylate is a quinoline-based ester derivative with potential applications in pharmaceutical and agrochemical research. The compound features a chloro substituent at the 4-position and methyl groups at the 7- and 8-positions, enhancing its reactivity and selectivity in synthetic transformations. The carboxylate ester moiety at the 2-position offers versatility for further functionalization, making it a valuable intermediate in heterocyclic chemistry. Its well-defined structure and stability under standard conditions facilitate its use in complex organic syntheses. This compound is particularly useful in the development of biologically active molecules, owing to its quinoline scaffold, which is prevalent in many therapeutic agents.
Methyl 4-chloro-7,8-dimethylquinoline-2-carboxylate structure
1133115-70-4 structure
Product Name:Methyl 4-chloro-7,8-dimethylquinoline-2-carboxylate
CAS No:1133115-70-4
MF:C13H12ClNO2
MW:249.692882537842
MDL:MFCD11855885
CID:856621
PubChem ID:46739217
Update Time:2025-06-08

Methyl 4-chloro-7,8-dimethylquinoline-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-chloro-7,8-dimethylquinoline-2-carboxylate
    • ACMC-2099ih
    • AG-D-33052
    • AK-94467
    • ANW-16599
    • BD231383
    • CTK4A8221
    • KB-54341
    • DTXSID00674841
    • CS-0212319
    • DB-360789
    • AKOS012682755
    • METHYL4-CHLORO-7,8-DIMETHYLQUINOLINE-2-CARBOXYLATE
    • MFCD11855885
    • 1133115-70-4
    • BS-25114
    • SB69886
    • MDL: MFCD11855885
    • Inchi: 1S/C13H12ClNO2/c1-7-4-5-9-10(14)6-11(13(16)17-3)15-12(9)8(7)2/h4-6H,1-3H3
    • InChI Key: VZYCKZKXAVZPOB-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(=O)OC)N=C2C=1C=CC(C)=C2C

Computed Properties

  • Exact Mass: 249.0556563g/mol
  • Monoisotopic Mass: 249.0556563g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 297
  • 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: 3.7
  • Topological Polar Surface Area: 39.2?2

Methyl 4-chloro-7,8-dimethylquinoline-2-carboxylate Pricemore >>

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