Cas no 959236-72-7 (7-iodo-1,2,3,4-tetrahydroquinazoline-2,4-dione)

7-iodo-1,2,3,4-tetrahydroquinazoline-2,4-dione structure
959236-72-7 structure
Product Name:7-iodo-1,2,3,4-tetrahydroquinazoline-2,4-dione
CAS No:959236-72-7
MF:C8H5IN2O2
MW:288.041973829269
MDL:MFCD09954830
CID:1025664
PubChem ID:34176106
Update Time:2024-10-25

7-iodo-1,2,3,4-tetrahydroquinazoline-2,4-dione Chemical and Physical Properties

Names and Identifiers

    • 7-Iodoquinazoline-2,4(1H,3H)-dione
    • 7-iodo-1H-quinazoline-2,4-dione
    • 7-Iodoquizoline-2,4(1H,3H)-dione
    • 2,4(1H,3H)-Quinazolinedione, 7-iodo-
    • USQDOSUQXJGECF-UHFFFAOYSA-N
    • 6584AC
    • FCH1396613
    • 7-Iodo-2,4(1H,3H)-quinazolinedione
    • AX8224614
    • D121496
    • 7-Iodo-2,4(1H,3H)-quinazolinedione (ACI)
    • 7-iodo-1,2,3,4-tetrahydroquinazoline-2,4-dione
    • DTXSID60652948
    • AKOS016003629
    • DS-17311
    • SCHEMBL4174954
    • 959236-72-7
    • DB-296787
    • MFCD09954830
    • CS-0040089
    • F21427
    • 7-IODO-1,3-DIHYDROQUINAZOLINE-2,4-DIONE
    • 7-Iodoquinazoline-24(1H3H)-dione
    • 7-Iodoquinazoline-2 pound not4(1H pound not3H)-dione
    • MDL: MFCD09954830
    • Inchi: 1S/C8H5IN2O2/c9-4-1-2-5-6(3-4)10-8(13)11-7(5)12/h1-3H,(H2,10,11,12,13)
    • InChI Key: USQDOSUQXJGECF-UHFFFAOYSA-N
    • SMILES: O=C1NC2C(=CC=C(C=2)I)C(=O)N1

Computed Properties

  • Exact Mass: 287.93957g/mol
  • Monoisotopic Mass: 287.93957g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 257
  • 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: 0.8
  • Topological Polar Surface Area: 58.2

7-iodo-1,2,3,4-tetrahydroquinazoline-2,4-dione Security Information

7-iodo-1,2,3,4-tetrahydroquinazoline-2,4-dione Pricemore >>

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7-iodo-1,2,3,4-tetrahydroquinazoline-2,4-dione Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Ethanol ,  Water ;  overnight, 80 °C; 80 °C → 20 °C
Reference
Design and Synthesis of Novel Diaminoquinazolines with in Vivo Efficacy for β-Catenin/T-Cell Transcriptional Factor 4 Pathway Inhibition
Dehnhardt, Christoph M.; Venkatesan, Aranapakam M.; Chen, Zecheng; Ayral-Kaloustian, Semiramis; Dos Santos, Osvaldo; et al, Journal of Medicinal Chemistry, 2010, 53(2), 897-910

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Ethanol ,  Water ;  overnight, 80 °C; 80 °C → rt
Reference
Amino-substituted quinazoline derivatives as inhibitors of β-cantenin/Tcf-4 pathway and cancer treatment agents and their preparation
, World Intellectual Property Organization, , ,

7-iodo-1,2,3,4-tetrahydroquinazoline-2,4-dione Raw materials

7-iodo-1,2,3,4-tetrahydroquinazoline-2,4-dione Preparation Products

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