Ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate

Basic Information

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CAS Number

115932-00-8

Molecular Formula

C9H9N3O2

Molecular Weight

191.19 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

210-212℃

SMILES

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CCOC(=O)c1cnn2cccnc12

InChI

InChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-11-12-5-3-4-10-8(7)12/h3-6H,2H2,1H3

InChIKey

JEMAMNBFHPIPCR-UHFFFAOYSA-N

LogP

0.9059999999999999

Topological Polar Surface Area

56.489999999999995 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

222

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate
Ethyl pyrazolo[1,5-a]pyrim-idine-3-carboxylate
AKOS B020604
ART-CHEM-BB B020604
3-(Ethoxycarbonyl)pyrazolo[1,5-a]pyrimidine
PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, ethyl ester
ETHYL PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE,
PubChem20847
ethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
JEMAMNBFHPIPCR-UHFFFAOYSA-N
STK312787
PB12712
ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate

MDL Number

MFCD00847745

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 115932-00-8)?

Ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 115932-00-8) is a crystalline compound with a molecular weight of approximately 222.24 g/mol. Its solubility in water is low, but it is more soluble in organic solvents such as ethanol and acetone. The compound exhibits good stability under neutral to slightly acidic conditions but can degrade at high temperatures or in basic environments. It is a moderately reactive carboxylic acid derivative, showing potential for various chemical reactions such as esterification and nucleophilic substitution.

How is Ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 115932-00-8) typically synthesized?

Ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 115932-00-8) is typically synthesized through a multi-step process involving the condensation of pyrazolo[1,5-a]pyrimidine-3-carbonitrile with ethyl bromoacetate in the presence of a suitable base such as potassium carbonate. The reaction is usually carried out in an organic solvent like dimethylformamide (DMF) at room temperature. The yield is generally high, and the product is isolated by column chromatography followed by recrystallization from an appropriate solvent.

What industries use Ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 115932-00-8)?

Ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 115932-00-8) is used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. Its derivatives may also find applications in the polymer industry as stabilizers or additives. Additionally, it can be used in the development of chemical sensors and in the preparation of semiconducting materials due to its unique structure and reactivity.

What precautions should be taken when handling Ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 115932-00-8)?

When handling Ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 115932-00-8), it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed information on handling and storage.