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6-Chloro-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid

  • CAS No. 758710-85-9

  • Cat. No. CS-0567203
  • Molecule weight224.60
  • Purity≥98%
  • MDL No.None

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

6-Chloro-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid|CS-0567203

Structure of 758710-85-9

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General Information

  • CAS No. 758710-85-9
  • Cat. No. CS-0567203
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅ClN₂O₃
  • Molecular Weight 224.60
  • Synonym(s) 6-Chloro-4-oxo-1,4-dihydroquinazoline-7-carboxylic acid
  • SMILES O=C(C1=CC(N=CN2)=C(C=C1Cl)C2=O)O

Synthesis

  • Route1
    • 2-Amino-5-chloroterephthalic acid|CS-0731742
      32888-88-3
    • null|null
      77287-34-4
    • ~%
    • 6-Chloro-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid|CS-0567203
      758710-85-9

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BOEHRINGER INGELHEIM PHARMA GMBH and CO. KG Patent: WO2004/80970 A1, 2004 ; Location in patent: Page 47; 48 ; WO 2004/080970 A1

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   83.05
  • LogP   1.2747
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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