ChemicalBook--->CAS DataBase List--->55551-49-0

55551-49-0

55551-49-0 Structure

55551-49-0 Structure
IdentificationBack Directory
[Name]

2-DIMETHYLAMINO-PYRIMIDINE-5-CARBALDEHYDE
[CAS]

55551-49-0
[Synonyms]

ASISCHEM C63425
CHEMBRDG-BB 4010270
TIMTEC-BB SBB010324
2-DIMETHYLAMINO-PYRIMIDINE-5-CARBALDEHYDE
5-Pyrimidinecarboxaldehyde, 2-(dimethylamino)-
2-(N,N-DiMethylaMino)pyriMidine-5-carboxaldehyde
2-(dimethylamino)pyrimidine-5-carbaldehyde(SALTDATA: FREE)
2-DIMETHYLAMINO-PYRIMIDINE-5-CARBALDEHYDE ISO 9001:2015 REACH
[Molecular Formula]

C7H9N3O
[MDL Number]

MFCD03446733
[MOL File]

55551-49-0.mol
[Molecular Weight]

151.17
Chemical PropertiesBack Directory
[Melting point ]

122-124 °C
[Boiling point ]

289.6±32.0 °C(Predicted)
[density ]

1.204±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

solid
[pka]

2.27±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C7H9N3O/c1-10(2)7-8-3-6(5-11)4-9-7/h3-5H,1-2H3
[InChIKey]

XBYXYDVSCMMJDT-UHFFFAOYSA-N
[SMILES]

C1(N(C)C)=NC=C(C=O)C=N1
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

22-43
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2933599590
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

2-DIMETHYLAMINO-PYRIMIDINE-5-CARBALDEHYDE(55551-49-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Chloropyrimidine-5-carbaldehyde

933702-55-7

2-DIMETHYLAMINO-PYRIMIDINE-5-CARBALDEHYDE

55551-49-0

General procedure for the synthesis of 2-dimethylaminopyrimidine-5-carbaldehyde from 2-chloropyrimidine-5-carbaldehyde: 2-chloropyrimidine-5-carbaldehyde (412 mg, 2.89 mmol) and triethylamine (Et3N, 482 μL, 3.47 mmol) were dissolved in dioxane (20 mL), followed by the addition of a solution of dimethylamine (Me2NH) in tetrahydrofuran (THF) (1.59 mL, 2.0 M, 3.18 mmol). The reaction mixture was stirred at room temperature for 1 h. After completion of the reaction, the reaction solution was filtered and the solid was washed with dioxane (5 mL). The filtrate was concentrated under vacuum to give 2-dimethylaminopyrimidine-5-carbaldehyde (427 mg, 97.7% yield) as a yellow solid. The product was analyzed by LC-MS (ES+) and showed a molecular ion peak [MH]+ of 152.2. HPLC analysis showed a retention time (Rt) of 4.14 min and a purity of 97.9%.

[References]

[1] Patent: US2015/258101, 2015, A1
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