1,3-Dimethyluric acid

Basic Information

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CAS Number

944-73-0

Molecular Formula

C7H8N4O3

Molecular Weight

196.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

≥300 °C

Boiling Point

520.2°C at 760 mmHg

Density

1.63±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

268.4ºC

Refractive Index

1.6700 (estimate)

SMILES

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CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2

InChI

InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)

InChIKey

OTSBKHHWSQYEHK-UHFFFAOYSA-N

LogP

-1.7464000000000002

Topological Polar Surface Area

92.65 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

386

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1H-Purine-2,6,8(3H)-trione,7,9-dihydro-1,3-dimethyl-
1,3-Dimethyluric acid
1,3-Dimethyl-7,9-dihydro-3H-purine-2,6,8-trione
1,3-Dimethyl-2,6,8-trihydroxypurine
7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trione
Ba 2751
NSC 95854
Oxytheophylline
1,3-Dimethylurate
1,3-diMethyl-1H-purine-2,6,8(3H,7H,9H)-trione
1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3-dimethyl-
Uric acid, 1,3-dimethyl-
MLS002695335
C222JTI9I3
1,3-dimethyl-7,9-dihydropurine-2,6,8-trione
Uric acid, 1,3-dimethyl- (6CI,7CI,8CI)
1,3-dimethyl-2,3,6,7,8,9-hexahy
7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trione (ACI)
Uric acid, 1,3-dimethyl- (6CI, 7CI, 8CI)
1,3-Dimethyl-7,9-dihydropurine-2,6,8-trione
1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
BA-2751
DIMETHYL URIC ACID [USP IMPURITY]
1,3-Dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
NCIOpen2_001690
1H-Purine-2,8(3H)-trione, 7,9-dihydro-1,3-dimethyl-
8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trione; 1,3-Dimethyl Uric Acid;
AKOS000296800
CHEMBL795
SCHEMBL438597

MDL Number

MFCD00009740

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1,3-Dimethyluric acid (CAS: 944-73-0)?

1,3-Dimethyluric acid (CAS: 944-73-0) is a white crystalline solid with a molecular weight of 150.15 g/mol. It has a solubility of 0.1 g/100 mL in water and is slightly soluble in ethanol. Chemically, it is relatively stable but can react with strong bases. It is an organic acid and can participate in typical acid-base reactions.

How is 1,3-Dimethyluric acid (CAS: 944-73-0) typically synthesized?

1,3-Dimethyluric acid can be synthesized from 1,3-dimethyluric anhydride via hydrolysis under acidic conditions. The synthesis typically uses sulfuric acid as the catalyst and proceeds with good selectivity and yield. The process involves heating the anhydride with water in an acidic medium to produce the acid.

What industries use 1,3-Dimethyluric acid (CAS: 944-73-0)?

1,3-Dimethyluric acid (CAS: 944-73-0) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It is also utilized in the polymer industry for the production of certain polymers and in the sensor industry for its role in chemical sensing applications.

What precautions should be taken when handling 1,3-Dimethyluric acid (CAS: 944-73-0)?

When handling 1,3-Dimethyluric acid (CAS: 944-73-0), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be stored in a dry, well-ventilated area away from heat and open flames. Spills should be cleaned up using appropriate absorbents, and the area should be ventilated. Safety data sheets (SDS) should be consulted for detailed safety information.