1,3,7,9-Tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione

Basic Information

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CAS Number

2309-49-1

Molecular Formula

C9H12N4O3

Molecular Weight

224.22 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

226 ºC

Boiling Point

295.0±50.0 ºC (760 Torr),

Flash Point

121.6±22.5 ºC,

Refractive Index

1.6300 (estimate)

SMILES

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CN1C2=C(N(C1=O)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C9H12N4O3/c1-10-5-6(11(2)8(10)15)12(3)9(16)13(4)7(5)14/h1-4H3

InChIKey

QGDOQULISIQFHQ-UHFFFAOYSA-N

LogP

-1.725599999999999

Topological Polar Surface Area

70.93 Å²

Hydrogen Bond Donor/Acceptor

0 / 7

Complexity

442

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-2,8(3H)-trione, 7,9-dihydro-1,3,7,9-tetramethyl-
Theacrin
Tetramethyluric acid
TeaCrine
1,3,7, 9-Tetramethyluric acid
Temurin
1,3,7,9-tetramethylpurine-2,6,8-trione
1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3,7,9-tetramethyl-
CHEBI:139388
Tetramethyl uric acid
1,7,9-Tetramethyluric acid
AMY36785
MFCD00042781
1,3,7,9-tetramethylurate
CS-0069995
Ba 2750
1,3,7,9-Tetramethyl-7,9-dihydro-3H-purine-2,6,8-trione
SCHEMBL2817943
AI3-52596
1,3,7,9-Tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
MLS002638067
NCGC00168972-01
Uric acid, 1,3,7,9-tetramethyl-
NSC 8809
A924685
1,3,7,9-tetraMethyl-1H-purine-2,6,8(3H,7H,9H)-trione
SY074330
SMR001547560
NSC8809
1,3,7,9-Tetramethyluric acid
FT-0749152

MDL Number

MFCD00042781

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1,3,7,9-Tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione (CAS: 2309-49-1)?

1,3,7,9-Tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione (CAS: 2309-49-1) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes hazard communication and labeling requirements. In the European Union, it falls under the REACH regulation, requiring registration and assessment of substances. For FDA and EPA, it is classified based on toxicity and environmental impact, with specific reporting and handling requirements as per the hazardous waste regulations.

Are there alternatives to 1,3,7,9-Tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione in synthesis?

1,3,7,9-Tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione (CAS: 2309-49-1) can be synthesized using alternative reagents such as methyl isocyanate or methyl isothiocyanate. Other analogs like 2-aminopurine or 6-mercaptopurine can be used as substitutes, depending on the specific application. These alternatives can offer similar functionalities in various chemical reactions.

What is the market or research trend for 1,3,7,9-Tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione?

The market for 1,3,7,9-Tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione (CAS: 2309-49-1) is primarily driven by its use in pharmaceuticals, particularly in the development of antiviral and antifungal drugs. Research trends focus on its potential as an antiviral agent against RNA viruses. Market trends indicate increasing demand in the pharmaceutical sector, with ongoing studies exploring its efficacy and potential as a broad-spectrum antiviral.

How should waste containing 1,3,7,9-Tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione (CAS: 2309-49-1) be handled?

Waste containing 1,3,7,9-Tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione (CAS: 2309-49-1) should be collected in appropriate labeled containers and handled by trained individuals. Proper waste disposal methods include incineration or professional waste disposal services. Environmental protection measures include minimizing waste generation and ensuring that waste is treated to prevent environmental contamination. Regulatory compliance is essential, with adherence to local hazardous waste regulations and guidelines.