ETHYL 6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
- CAS NO.:33458-26-3
- Empirical Formula: C14H16N2O2S
- Molecular Weight: 276.35
- MDL number: MFCD00188414
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-27 16:27:43
What is ETHYL 6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE?
The Uses of ETHYL 6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
ETHYL 6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical and pharmaceutical production process middle.
Synthesis
In a 10-mL round-bottom flask equipped with a condenser, a mixture of the aromatic aldehyde (1 mmol), ethyl acetoacetate (1 mmol), urea or thiourea (1.5 mmol) and [Dsbim]Cl (0.0376 g, 10 mol%) was stirred at 80 °C, and the resulting mixture was kept under continuous stirring for lengths of time as specified in Table 3, with the progress of the reaction was followed by TLC. After completion of the reaction, the mixture was cooled to room temperature, and 3 mL of water was added. The ionic liquid was dissolved in water and filtered for separation of the crude product. The separated product was washed twice with water (2 9 3 mL). For recycling the catalysts, after the solid products were thoroughly washed with water, the water containing the ionic liquid (IL is soluble in water) was evaporated under reduced pressure, and the ionic liquid was recovered and reused. The solid product was purified by a recrystallization procedure in ethanol. All of the desired product(s) were characterized by comparison of their physical data with those of known compounds. Entry: 13 Product: 4m; Yield: 90% Mp: 208-210°C; Lit. Mp: 205-206 [23]°C
Properties of ETHYL 6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
Melting point: | 180 |
Boiling point: | 390.5±52.0 °C(Predicted) |
Density | 1.25±0.1 g/cm3(Predicted) |
pka | 11.33±0.70(Predicted) |
Safety information for ETHYL 6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
Signal word | Danger |
Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 |
GHS Hazard Statements |
H301:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
Computed Descriptors for ETHYL 6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
InChIKey | QMFBVGUFEGVPNG-UHFFFAOYSA-N |
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