| Identification | More | [Name]
2-Amino-5-pyrimidinecarboxyaldehyde | [CAS]
120747-84-4 | [Synonyms]
2-AMINO-5-PYRIMIDINECARBOXYALDEHYDE
2-AMINO-PYRIMIDINE-5-CARBALDEHYDE
ASISCHEM C63547
5-Pyrimidinecarboxaldehyde,2-amino-
5-Pyrimidinecarboxaldehyde, 2-amino-(9CI)
2-Amino-5-pyrimidinecarbaldehyde
2-Amino-pyrimidine-5-carbaldehyde ,97% | [Molecular Formula]
C5H5N3O | [MDL Number]
MFCD03701714 | [Molecular Weight]
123.11 | [MOL File]
120747-84-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
209-214°C | [Boiling point ]
372.7±34.0 °C(Predicted) | [density ]
1.370±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
solid | [pka]
1.99±0.10(Predicted) | [Appearance]
Off-white to yellow Solid | [Detection Methods]
HPLC | [InChI]
InChI=1S/C5H5N3O/c6-5-7-1-4(3-9)2-8-5/h1-3H,(H2,6,7,8) | [InChIKey]
DPOYRRAYGKTRAU-UHFFFAOYSA-N | [SMILES]
C1(N)=NC=C(C=O)C=N1 | [CAS DataBase Reference]
120747-84-4(CAS DataBase Reference) | [Storage Precautions]
Store under nitrogen |
| Hazard Information | Back Directory | [Chemical Properties]
Light brown solid | [Synthesis Reference(s)]
Journal of Heterocyclic Chemistry, 28, p. 1281, 1991 DOI: 10.1002/jhet.5570280520 | [Synthesis]
General procedure for the synthesis of 2-amino-5-pyrimidinecarboxaldehyde from methyl 2-aminopyrimidine-5-carboxylate: methyl 2-aminopyrimidine-5-carboxylate (300 mg, 2.0 mmol) was dissolved in methanol (5 mL) containing a few drops of water. Subsequently, lithium hydroxide (122 mg, 5.1 mmol) was added and the reaction mixture was stirred and reacted at 60 °C overnight. Upon completion of the reaction, the mixture was concentrated under reduced pressure, after which it was diluted with water and the pH was adjusted with 1 M HCl solution to 4. At this point, 2-aminopyrimidine-5-carboxylic acid precipitated as a white solid, which was isolated by vacuum filtration to give the product (244 mg, 90% yield). The structure of the product was confirmed by 1H NMR (DMSO-d6), δ: 12.73 (1H, broad peak), 8.63 (2H, single peak), 7.44 (2H, broad peak). | [References]
[1] Patent: WO2012/62748, 2012, A1. Location in patent: Page/Page column 53-54 |
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