Methyl 2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

Basic Information

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CAS Number

42821-92-1

Molecular Formula

C6H6N2O4

Molecular Weight

170.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

282 ºC

SMILES

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O=C(C1=CNC(NC1=O)=O)OC

InChI

InChI=1S/C6H6N2O4/c1-12-5(10)3-2-7-6(11)8-4(3)9/h2H,1H3,(H2,7,8,9,11)

InChIKey

LNFWHIMRFZBBFO-UHFFFAOYSA-N

LogP

-1.1502

Topological Polar Surface Area

92.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

281

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

Methyl 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1,2,3,4-tetrahydro-2,4-dioxo-5-Pyrimidinecarboxylic acid methyl ester
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-, methyl ester
Methyl 2,4-dihydroxypyriMidine-5-carboxylate
methyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
RARECHEM AL BF 0788
NSC602880
isoorotic acid methyl ester
2,4-DIOXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER
methyl 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

MDL Number

MFCD06203889

Customs Code

2933599090

FAQ

What are the physical and chemical properties of Methyl 2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS: 42821-92-1)?

Methyl 2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS: 42821-92-1) is a white crystalline solid with a molecular weight of approximately 216.21 g/mol. It is slightly soluble in water and more soluble in organic solvents such as ethanol and acetone. This compound is known for its reactivity, particularly in nucleophilic substitution reactions and condensation reactions.

How is Methyl 2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS: 42821-92-1) typically synthesized?

Methyl 2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS: 42821-92-1) is often synthesized via a multistep process involving the condensation of 2,4-diformylpyrimidine with methyl formate. The synthesis typically requires the use of a dehydrating agent such as phosphorus oxychloride or thionyl chloride, and the final product is obtained with high yield and good purity.

What industries use Methyl 2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS: 42821-92-1)?

Methyl 2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS: 42821-92-1) is used in pharmaceuticals for the synthesis of various drugs, particularly those targeting nucleoside analogs. It is also utilized in the polymer industry for the development of novel materials with specific properties. Additionally, it finds applications in the production of sensors and as a precursor in semiconductor manufacturing.

What precautions should be taken when handling Methyl 2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS: 42821-92-1)?

When handling Methyl 2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS: 42821-92-1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. This compound should be stored in a cool, dry place, away from direct sunlight and heat sources. In the event of a spill, contain the spill using appropriate tools and materials, and handle it according to the Material Safety Data Sheet (MSDS) guidelines. Always ensure the use of a fume hood during handling to minimize exposure to the compound.