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1,3-Dimethylbarbituric acid

Short Description:


  • Chemical Name: 1,3-Dimethylbarbituric acid
  • CAS No.: 769-42-6
  • Deprecated CAS: 213833-88-6,41949-07-9,342615-73-0,863970-57-4,936361-69-2,952003-94-0,959586-34-6,1030585-39-7,1188497-83-7,1240326-21-9,1392010-45-5,1429128-12-0,1030585-39-7,1188497-83-7,1240326-21-9,1392010-45-5,342615-73-0,41949-07-9,863970-57-4,936361-69-2,952003-94-0,959586-34-6
  • Molecular Formula: C6H8N2O3
  • Counting Atoms: 6 Carbon atoms,8 Hydrogen atoms,2 Nitrogen atoms,3 Oxygen atoms,
  • Molecular Weight: 156.141
  • Hs Code.: 29339900
  • European Community (EC) Number: 212-211-7
  • NSC Number: 61918
  • DSSTox Substance ID: DTXSID0061115
  • Nikkaji Number: J135.896K
  • Wikidata: 769-42-6.mol
  • Synonyms: 1,3-dimethylbarbituric acid
  • Product Detail

    Product Tags

    product (1)

    Chemical Property of 1,3-Dimethylbarbituric acid

    ● Appearance/Colour:Yellow or brownish powder
    ● Vapor Pressure:0.0746mmHg at 25°C
    ● Melting Point:121-123 °C(lit.)
    ● Refractive Index:1.511
    ● Boiling Point:228.1 °C at 760 mmHg
    ● PKA:pK1:4.68(+1) (25°C)
    ● Flash Point:95.3 °C
    ● PSA:57.69000
    ● Density:1.322 g/cm3
    ● LogP:-0.69730
    ● Storage Temp.:-20°C Freezer

    ● Solubility.:hot water: soluble0.5g/10 mL, clear, colorless to faintly yellow
    ● Water Solubility.:Soluble in water.
    ● XLogP3:-0.8
    ● Hydrogen Bond Donor Count:0
    ● Hydrogen Bond Acceptor Count:3
    ● Rotatable Bond Count:0
    ● Exact Mass:156.05349212
    ● Heavy Atom Count:11
    ● Complexity:214

    Purity/Quality

    99% *data from raw suppliers

    1,3-Dimethylbarbituric acid *data from reagent suppliers

    Safty Information

    ● Pictogram(s):product (2)Xn
    ● Hazard Codes:Xn
    ● Statements:22-41
    ● Safety Statements:26-36/39

    Useful

    ● Canonical SMILES: CN1C(=O)CC(=O)N(C1=O)C
    ● Uses: 1,3-Dimethylbarbituric acid is used as a catalyst in the Knoevenagel condensation of a series of aromatic aldehydes. It is also used in the synthesis of 5-aryl-6-(alkyl- or aryl-amino)-1,3-dimethylfuro [2,3-d]pyrimidine derivatives and enantioselective synthesis of isochromene pyrimidinedione derivatives. 1,3-Dimethyl Barbituric Acid (Urapidil Impurity 4) is a derivative of Barbituric acid. All of the barbituric acid derivatives which have been reported to have pronounced hypnotic activity are disubstituted in the 5-position.

    1,3-Dimethylbarbituric acid, also known as barbital, is a chemical compound with the molecular formula C6H8N2O3. It is a white crystalline powder that is commonly used as a sedative and hypnotic medication. It belongs to the class of drugs known as barbiturates.Barbital works by depressing the central nervous system, producing sedative and hypnotic effects. It is typically used to treat insomnia and anxiety. However, due to its potential for addiction and overdose, its use has declined in recent years, and it is now primarily used in veterinary medicine.


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