3,4-Dihydro-2H-pyrido[1,2-a]pyrimidin-2-one

Basic Information

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CAS Number

5439-14-5

Molecular Formula

C8H8N2O

Molecular Weight

148.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

185-187 °C

Boiling Point

271 ºC

Flash Point

118 ºC

Refractive Index

1.64

SMILES

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C1CN2C=CC=CC2=NC1=O

InChI

InChI=1S/C8H8N2O/c11-8-4-6-10-5-2-1-3-7(10)9-8/h1-3,5H,4,6H2

InChIKey

XQIOBBHIEUGFCI-UHFFFAOYSA-N

LogP

0.7007

Topological Polar Surface Area

32.67 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

276

Synonyms & References

English

Acid Captor H
2H-PYRIDO(1,2-A)PYRIMIDIN-2-ONE, 3,4-DIHYDRO-
3,4-Dihydro-2H-pyrido(1,2-a)pyrimidin-2-one
2H-Pyrido[1,2-a]pyrimidin-2-one,3,4-dihydro-
3,4-Dihydro-2-pyridol[1,2-a]pyrimidinone
3,4-dihydropyrido[1,2-a]pyrimidin-2-one
2H,3H,4H-PYRIDO(1,2-A)PYRIMIDIN-2-ONE
NSC-15063
3,4-Dihydro-2-pyridol[1,2-a]pyrimidinone, for GC derivatization, >=99.0%
NS00033069
J-511184
A870466
MFCD00042798
Benzothiazole, 2,6-diethyl-
3,4-Dihydropyrido-(1,2-a)-pyrimidin-2-one
D1393
AS-40751
XQIOBBHIEUGFCI-UHFFFAOYSA-N
DTXSID80202762
3,4-Dihydro-2-pyridol[1,2-a]pyrimidinone for GC derivatization
UNII-YM7NK945JZ
3,4-Dihydro-2H-pyrido[1,2-a]pyrimidin-2-one
NSC 15063
SCHEMBL2162391
FT-0614317
NSC15063
5439-14-5
EINECS 226-618-2
YM7NK945JZ
AKOS006227770
3,4,5-trihydropyridino[1,2-a]pyrimidin-2-one

MDL Number

MFCD00042798

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3,4-Dihydro-2H-pyrido[1,2-a]pyrimidin-2-one (CAS: 5439-14-5)?

3,4-Dihydro-2H-pyrido[1,2-a]pyrimidin-2-one is a crystalline solid with a molecular weight of approximately 135.14 g/mol. It has a melting point of around 150-152°C. Soluble in common organic solvents like DMSO and acetonitrile. It is moderately reactive, showing good stability in acidic and neutral conditions but is sensitive to strong bases. It can form complexes with metal ions effectively.

How is 3,4-Dihydro-2H-pyrido[1,2-a]pyrimidin-2-one (CAS: 5439-14-5) typically synthesized?

3,4-Dihydro-2H-pyrido[1,2-a]pyrimidin-2-one can be synthesized via multistep reactions involving the condensation of a pyridine derivative with a hydrazine derivative. Common synthesis methods include the condensation of 2-cyano-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-one with hydrazine hydrate in the presence of a catalyst such as hydrochloric acid, followed by dehydration under appropriate conditions to yield the target compound with high selectivity and yield.

What industries use 3,4-Dihydro-2H-pyrido[1,2-a]pyrimidin-2-one (CAS: 5439-14-5)?

3,4-Dihydro-2H-pyrido[1,2-a]pyrimidin-2-one finds applications in the pharmaceutical industry for the development of antiviral and antibacterial drugs. It is also used in polymer science for the synthesis of functional polymers with specific properties. Additionally, it plays a role in sensor technology and semiconductor manufacturing due to its unique chemical structure and reactivity.

What precautions should be taken when handling 3,4-Dihydro-2H-pyrido[1,2-a]pyrimidin-2-one (CAS: 5439-14-5)?

Proper handling of 3,4-Dihydro-2H-pyrido[1,2-a]pyrimidin-2-one requires the use of personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be handled with care, using suitable absorbent materials, and the area should be cleaned with appropriate solvents. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.