Cas no 2577-38-0 (2,4,7(1H,3H,8H)-Pteridinetrione)

2,4,7(1H,3H,8H)-Pteridinetrione structure
2577-38-0 structure
Product Name:2,4,7(1H,3H,8H)-Pteridinetrione
CAS No:2577-38-0
MF:C6H4N4O3
MW:180.120960235596
CID:257741
PubChem ID:75734
Update Time:2025-04-19

2,4,7(1H,3H,8H)-Pteridinetrione Chemical and Physical Properties

Names and Identifiers

    • 2,4,7(1H,3H,8H)-Pteridinetrione
    • 1,8-dihydropteridine-2,4,7-trione
    • 7-HYDROXYLUMAZINE
    • 1H,3H,8H-pteridine-2,4,7-trione
    • 1H,8H-Pteridin-2,4,7-trion
    • 1H,8H-pteridine-2,4,7-trione
    • 2,4,7-Pteridinetriol
    • 2,7-Pteridinetriol
    • 2,7-Trihydroxypteridine
    • 7-Oxo-7,8-dihydro-lumazin (Isoxantho-lumazin,Violapterin)
    • 7-oxo-7,8-dihydrolumazine
    • 7-oxylumazine
    • AC1L2PEP
    • Isoxantholumazine
    • Lumazine, 7-hydroxy-
    • Violapterin
    • UNII-3H368N1B88
    • Pteridine-2,4,7(1H,3H,8H)-trione
    • 3H368N1B88
    • DTXSID30180440
    • NSC-405591
    • 2,4,6-Trihydroxypteridine
    • NSC405591
    • BCVUYVOMXUKYFC-UHFFFAOYSA-N
    • starbld0004690
    • 2,4,7-Trihydroxypteridine
    • pteridine-2,4,7-triol
    • SCHEMBL5443522
    • 2,7(1H,3H,8H)-Pteridinetrione
    • CHEBI:85515
    • NSC 405591
    • 1,2,3,4,7,8-hexahydropteridine-2,4,7-trione
    • Q27158614
    • 2577-38-0
    • Inchi: 1S/C6H4N4O3/c11-2-1-7-3-4(8-2)9-6(13)10-5(3)12/h1H,(H3,8,9,10,11,12,13)
    • InChI Key: BCVUYVOMXUKYFC-UHFFFAOYSA-N
    • SMILES: O=C1C2=C(NC(C=N2)=O)NC(N1)=O

Computed Properties

  • Exact Mass: 180.02842
  • Monoisotopic Mass: 180.028
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 381
  • 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: 99.7A^2
  • XLogP3: -1.8

Experimental Properties

  • Density: 1.6010 (rough estimate)
  • Boiling Point: 312.91°C (rough estimate)
  • Flash Point: 402.9°C
  • Refractive Index: 1.6700 (estimate)
  • PSA: 99.66

2,4,7(1H,3H,8H)-Pteridinetrione Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Ammonium chloride Solvents: Water ;  3 - 30 d, 38 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  24 h, 110 °C
Reference
New Insights into the Characterization of 'Insoluble Black HCN Polymers'
Ruiz-Bermejo, Marta; de la Fuente, Jose L.; Rogero, Celia; Menor-Salvan, Cesar; Osuna-Esteban, Susana; et al, Chemistry & Biodiversity, 2012, 9(1), 25-40

2,4,7(1H,3H,8H)-Pteridinetrione Preparation Products

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