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CS-W001157 4
Total: USD 88.00

7-Fluoroquinazolin-4(3H)-one

  • CAS No. 16499-57-3

  • Cat. No. CS-M0990
  • Purity≥96%
  • MDL No.MFCD07689443

*For research and further manufacturing use only, not for direct human use.

7-Fluoroquinazolin-4(3H)-one|CS-M0990

Structure of 16499-57-3

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General Information

  • CAS No. 16499-57-3
  • Cat. No. CS-M0990
  • Purity ≥96%
  • MDL No. MFCD07689443
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅FN₂O
  • Molecular Weight 164.14
  • Synonym(s) 7-FLUOROQUINAZOLIN-4-OL
  • SMILES O=C1C(C(N=CN1)=C2)=CC=C2F

Description

7-Fluoroquinazolin-4(3H)-one features a fluorinated quinazoline core that imparts enhanced electron-withdrawing character and metabolic stability. This scaffold integrates readily into medicinal chemistry campaigns targeting kinase inhibitors and bioactive heterocycles, offering improved binding affinity and membrane permeability under standard conditions.

Application

7-Fluoroquinazolin-4(3H)-one serves as a versatile scaffold for medicinal chemistry and synthetic organic applications, enabling efficient construction of bioactive heterocycles. Its fluorinated aromatic core enhances metabolic stability and modulates electronic properties, while the lactam functionality offers direct handle for derivatization. The compound exhibits excellent bench stability and facilitates straightforward functionalization via nucleophilic substitution or transition-metal-catalyzed coupling reactions, making it a practical building block in API development workflows.

Synthesis

  • Route1
    • 2-Amino-4-fluorobenzoic acid Afatinib Impurity|CS-0167288
      446-32-2
    • ~80%
    • In-stock
      7-Fluoroquinazolin-4(3H)-one|CS-M0990
      16499-57-3

    References

    • Zeneca Limited Patent: US6265411 B1, 2001 ;
  • Route2
    • 2-Amino-4-fluorobenzoic acid Afatinib Impurity|CS-0167288
      446-32-2
    • null|null
      77287-34-4
    • ~88%
    • In-stock
      7-Fluoroquinazolin-4(3H)-one|CS-M0990
      16499-57-3

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2004/94410 A1, 2004 ; Location in patent: Page 124 ; WO 2004/094410 A1
  • Route3
    • Ethyl 2-amino-4-fluorobenzoate|CS-W022651
      117324-05-7
    • ~%
    • In-stock
      7-Fluoroquinazolin-4(3H)-one|CS-M0990
      16499-57-3

    References

    • US2002/77486 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   45.75
  • LogP   1.0622
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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