Cas no 620957-95-1 (Ethyl 4-Chloro-6-methyl-2-quinazolinecarboxylate)

Ethyl 4-Chloro-6-methyl-2-quinazolinecarboxylate is a versatile quinazoline derivative widely used in pharmaceutical and agrochemical research. Its molecular structure, featuring a chloro substituent at the 4-position and a methyl group at the 6-position, enhances its reactivity, making it a valuable intermediate in synthesizing biologically active compounds. The ethyl carboxylate moiety improves solubility in organic solvents, facilitating further functionalization. This compound exhibits potential as a precursor for antitumor, antimicrobial, and kinase inhibitor agents due to its quinazoline core, known for diverse pharmacological properties. Its high purity and stability under standard conditions ensure reliable performance in synthetic applications. Researchers favor it for its well-defined reactivity profile and compatibility with various coupling reactions.
Ethyl 4-Chloro-6-methyl-2-quinazolinecarboxylate structure
620957-95-1 structure
Product Name:Ethyl 4-Chloro-6-methyl-2-quinazolinecarboxylate
CAS No:620957-95-1
MF:C12H11ClN2O2
MW:250.680941820145
MDL:MFCD12026444
CID:1636018
PubChem ID:23068383
Update Time:2025-07-02

Ethyl 4-Chloro-6-methyl-2-quinazolinecarboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4-chloro-6-methylquinazoline-2-carboxylate
    • ETHYL 4-CHLORO-6-METHYL-2-QUINAZOLINECARBOXYLATE
    • MFCD12026444
    • SCHEMBL3287907
    • 620957-95-1
    • NZKXQPUEYVPGPX-UHFFFAOYSA-N
    • 4-chloro-2-ethoxycarbonyl-6-methylquinazoline
    • DTXSID70630196
    • DB-073051
    • Ethyl 4-Chloro-6-methyl-2-quinazolinecarboxylate
    • MDL: MFCD12026444
    • Inchi: 1S/C12H11ClN2O2/c1-3-17-12(16)11-14-9-5-4-7(2)6-8(9)10(13)15-11/h4-6H,3H2,1-2H3
    • InChI Key: NZKXQPUEYVPGPX-UHFFFAOYSA-N
    • SMILES: ClC1=C2C=C(C)C=CC2=NC(C(=O)OCC)=N1

Computed Properties

  • Exact Mass: 250.051
  • Monoisotopic Mass: 250.051
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 288
  • 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: 52.1A^2
  • XLogP3: 3.4

Experimental Properties

  • Density: 1.301±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 405.3±37.0 °C at 760 mmHg
  • Flash Point: 198.9±26.5 °C
  • Refractive Index: 1.605
  • Solubility: Almost insoluble (0.03 g/l) (25 o C),
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

Ethyl 4-Chloro-6-methyl-2-quinazolinecarboxylate Security Information

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