4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid

Basic Information

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CAS Number

81303-65-3

Molecular Formula

C8H10N2O4

Molecular Weight

198.18 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

Density

1.36±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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O=C(C1=C(C(OCC)=O)C=NN1C)O

InChI

InChI=1S/C8H10N2O4/c1-3-14-8(13)5-4-9-10(2)6(5)7(11)12/h4H,3H2,1-2H3,(H,11,12)

InChIKey

INIPCPYOESSJQP-UHFFFAOYSA-N

LogP

0.2949999999999999

Topological Polar Surface Area

81.42 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Synonyms & References

English

4-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid
4-ethoxycarbonyl-2-methylpyrazole-3-carboxylic acid
1-Methyl-1H-pyrazole-4,5-dicarboxylic acid 4-ethyl ester
2-methyl-2H-pyrazole-3,4-dicarboxylic acid 4-ethyl ester
4-Ethyl hydrogen 1-methyl-1H-pyrazole-4,5-dicarboxylate

MDL Number

MFCD09473474

Customs Code

2933199090

FAQ

What regulatory guidelines apply to 4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 81303-65-3)?

4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 81303-65-3) falls under the regulatory frameworks of the REACH regulations in the European Union, which mandate manufacturers and importers to identify and manage the risks linked to the substances they place on the market. It also complies with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which categorizes it based on its health and environmental hazards. Additionally, the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may have specific requirements for its use and disposal in the context of pharmaceuticals and environmental safety.

Are there alternatives to 4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 81303-65-3) in synthesis?

For synthesizing similar functional groups, chemists may consider using alternative reagents such as ethyl acetoacetate or other carboxylic acids. Isomers or analogs like 4-(tert-butoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid might also be explored as alternatives. These alternatives can provide similar chemical functionality while potentially offering better reactivity or stability in certain synthetic conditions.

What is the market or research trend for 4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 81303-65-3)?

The market trend for 4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 81303-65-3) is driven by its application in medicinal chemistry and pharmaceutical research. Recent research focuses on its use as an intermediate in drug development, particularly in kinase inhibitors. The increasing demand in the pharmaceutical industry and emerging research in anti-inflammatory and anticancer therapies are expected to sustain its market growth. Additionally, the trend towards green chemistry and sustainable practices is likely to influence the development of more environmentally friendly synthesis routes.

How should waste containing 4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 81303-65-3) be handled?

Waste containing 4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 81303-65-3) should be collected in proper containers and disposed of through a professional hazardous waste disposal service. Incineration is a common method for waste disposal, provided it is conducted under controlled conditions to prevent the release of harmful byproducts. Environmental protection precautions include ensuring compliance with local hazardous waste regulations and minimizing the environmental impact through the use of best management practices and green disposal methods.