3,4-dihydro-2H-pyrido(1,2-a)pyrimidin-2-one
Basic information
- CAS
5439-14-5- Standard SMILES
O=C1CCN2C=CC=CC2=N1- InChIKey
XQIOBBHIEUGFCI-UHFFFAOYSA-N- Molecular formula
- C8H8N2O
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.06366288
Names & identifiers
- Preferred name
- 3,4-dihydro-2H-pyrido(1,2-a)pyrimidin-2-one
- IUPAC
- 3,4-dihydropyrido[1,2-a]pyrimidin-2-one
- English name
- 3,4-Dihydro-2H-pyrido[1,2-a]pyrimidin-2-one
- Molecular formula
- C8H8N2O
- Molecular weight
- 148.16
Names & synonyms
3,4-Dihydro-2H-pyrido[1,2-a]pyrimidin-2-one5439-14-5YM7NK945JZ3,4-Dihydro-2H-pyrido(1,2-a)pyrimidin-2-oneEINECS 226-618-2NSC-15063DTXSID80202762NSC 150632H,3H,4H-PYRIDO(1,2-A)PYRIMIDIN-2-ONE2H-PYRIDO(1,2-A)PYRIMIDIN-2-ONE, 3,4-DIHYDRO-RefChem:91087DTXCID10125253
Show more names
LABOTEST-BB LT00847264Dihydropyridopyrimidinone2H-Pyrido[1,2-a]pyrimidin-2-one,3,4-dihydro-3,4-Dihydro-2iHi-pyrido[1,2-iai]pyrimidin-2-one3,4-Dihydro-2H-pyrido[1,2-a]pyrimidin-2-one >3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRIMIDIN-2-ONE 98+%
226-618-23,4-dihydropyrido[1,2-a]pyrimidin-2-one3,4-Dihydro-2-pyridol[1,2-a]pyrimidinoneMFCD00042798Acid Captor H3,4-dihydro-2-pyridol(1,2-A)pyrimidinone3,4,5-trihydropyridino[1,2-a]pyrimidin-2-oneNSC15063
Database identifiers
- CAS
5439-14-5- PubChem CID
- 79500
- DTXSID
DTXSID80202762- UNII
- YM7NK945JZ
- EC Number
- 226-618-2
- Nikkaji
- J208.348E
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 185 · 185-187 °C
- Boiling point
- 271 ℃ · 271℃
- Density
- 1.26 · 1.26
- Flash point
- 118 ℃ · 118℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Solid
- pka
- 2.83 · 2.83±0.20(Predicted)
- color
- Light Yellow
- BRN
- 3667723 · 3667723
- 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
- SMILES
- C12C=CC=CN1CCC(=O)N=2
- FDA UNII
- 7 NK945JZ · YM7NK945JZ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 9-23
- wgk
- 3
- hs_code
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Preparation methods
Preparation3,4-Dihydro-2h-pyrido[1,2-a]pyrimidin-2-one is prepared by reaction of 2-aminopyridine with either Acrylic Acid itself or an equivalent (2-bromo- or 2-iodopropionic acid, Methyl Acrylate, ethyl 2-bromopropionate, β- Propiolactone).
Suppliers
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Related reactions
1 records
Compound notes
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