Ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate

Basic Information

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CAS Number

926663-00-5

Molecular Formula

C9H9N3O3

Molecular Weight

207.19 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

SMILES

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CCOC(=O)C1=C2NC(=O)C=CN2N=C1

InChI

InChI=1S/C9H9N3O3/c1-2-15-9(14)6-5-10-12-4-3-7(13)11-8(6)12/h3-5H,2H2,1H3,(H,11,13)

InChIKey

PCKVUOAPCLMZJI-UHFFFAOYSA-N

LogP

0.1992999999999998

Topological Polar Surface Area

76.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

316

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
ethyl 5-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
ETHYL 5-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE
ethyl 5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
5-oxo-4,5-dihydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester
PubChem20882
PCKVUOAPCLMZJI-UHFFFAOYSA-N
BCP20685
SBB093837
3438AF
PB29995
AM807426
AX820
Ethyl 4,5-dihydro-5-oxopyrazolo[1,5-a]pyrimidine-3-carboxylate (ACI)
5-Hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester
5-Oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester
Ethyl 5-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate
AC-31766
DB-351606
1026456-01-8
G72803
SCHEMBL404918
ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
ethyl-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
ETHYL5-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE
CS-D1654
5-Oxo-1,5-dihydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester
5-Hydroxy-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester
Ethyl 5-oxo-1,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
ETHYL 5-OXO-1H-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE
926663-00-5

MDL Number

MFCD12407818

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 926663-00-5)?

Ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate is a crystalline solid with a molecular weight of approximately 250.26 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetonitrile. The compound is chemically reactive, particularly towards nucleophiles and bases, making it susceptible to hydrolysis and deamination under basic conditions.

How is Ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 926663-00-5) typically synthesized?

Ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate is typically synthesized through a multi-step reaction involving pyrazolo[1,5-a]pyrimidine-3-carboxylic acid and ethyl bromide. The key steps include alkylation followed by carboxylation, catalyzed by sodium hydride or similar strong bases. The overall yield is moderate, ranging from 50% to 70% depending on the purity of starting materials and reaction conditions.

What industries use Ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 926663-00-5)?

Ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It also finds applications in the polymer industry for developing functional polymers and in the sensor industry for its potential use in chemical detection mechanisms. Additionally, it can be used in semiconductor manufacturing for specific chemical processes.

What precautions should be taken when handling Ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 926663-00-5)?

When handling Ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be immediately cleaned up with appropriate absorbent materials, and the area should be thoroughly rinsed with water. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and handling guidelines.