Ethyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate

Basic Information

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CAS Number

32092-18-5

Molecular Formula

C11H10N2O3

Molecular Weight

218.21 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

354.7°C at 760 mmHg

Density

1.29

Flash Point

168.3°C

Refractive Index

1.605

SMILES

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CCOC(=O)C1=CN=C2C=CC=CN2C1=O

InChI

InChI=1S/C11H10N2O3/c1-2-16-11(15)8-7-12-9-5-3-4-6-13(9)10(8)14/h3-7H,2H2,1H3

InChIKey

LURYFDMBWJWDQH-UHFFFAOYSA-N

LogP

0.8712

Topological Polar Surface Area

60.67 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

458

Synonyms & References

English

AKOS000266102
4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 4-oxo-, ethyl ester
HMS1787A12
11M-514S
4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
DTXSID50325790
A875713
AG-349/15373098
Ethyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate #
CS-0037936
4H-Pyrido[1, 4-oxo-, ethyl ester
3-Carboethoxy-4H-pyrido[1,2-a]pyrimidin-4-one
LURYFDMBWJWDQH-UHFFFAOYSA-N
ethyl 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
4-Oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
Ethyl4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
Ethyl 4-oxo-4H-pyrido[1,2-a]-pyrimidine-3-carboxylate
MFCD02102304
NSC518312
32092-18-5
Q63409538
NSC-518312
Z56769173
Ethyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
SCHEMBL11643359
Oprea1_161517
4H-Pyrido[1,2-a]pyrimidine-3-carboxylicacid, 4-oxo-, ethyl ester
3-Carbethoxy-4-oxo-homopyrimidazol
4-Oxo-4H-pyrido[1,2-a]pyrimidin-3-carbonsaeure-aethylester
4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
ethyl 4-oxo-4H-pyrido<1,2-a>pyrimidine-3-carboxylate

MDL Number

MFCD02102304

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Ethyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate (CAS: 32092-18-5)?

Ethyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate is a crystalline solid with a molecular weight of approximately 242.26 g/mol. It has limited water solubility and good solubility in organic solvents. The compound is moderately reactive, particularly toward nucleophiles and bases. It is stable under normal storage conditions but may degrade upon prolonged exposure to light or high temperatures.

How is Ethyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate (CAS: 32092-18-5) typically synthesized?

Ethyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate is typically synthesized via a multistep process involving the condensation of ethyl 3-chloro-4-oxopyrimidine-2-carboxylate with an appropriate pyridine derivative. This reaction is usually catalyzed by a Lewis acid and occurs in organic solvents. High yield and selectivity are achievable under optimized conditions.

What industries use Ethyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate (CAS: 32092-18-5)?

Ethyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate is primarily used in the pharmaceutical industry for the synthesis of various bioactive compounds. It also finds applications in the formulation of certain agricultural chemicals and as a precursor in the development of new materials, such as polymers and sensors.

What precautions should be taken when handling Ethyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate (CAS: 32092-18-5)?

When handling Ethyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.