| Identification | Back Directory | [Name]
5-CARBETHOXYURACIL | [CAS]
28485-17-8 | [Synonyms]
5-CARBETHOXYURACIL
RARECHEM AL BI 0788
5-Carbethoxyuracil ,98%
ISOOROTIC ACID ETHYL ESTER
Methyl uracil-5-carboxylate
Ethyluracil-5-carboxylate,98%
5-carbethoxyuracil crystalline
Ethyl uracil-5-carboxylate, 98%
Methyl uracil-5-carboxylate, GC 97%
Uracil-5-carboxylic acid ethyl ester
ethyl4-hydroxy-2-oxo-1,2-dihydropyriMidine-5
ethyl4-hydroxy-2-oxo-1,2-dihydropyriMidine-5-carboxylate
ethyl 2.4-dioxo-1.2.3.4-tetrahydropyriMidine-5-carboxylate
ethyl 1,2,3,4-tetrahydro-2,4-dioxopyrimidine-5-carboxylate
Ethyl uracil-5-carboxylate 5-Carbethoxyuracil
2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid ethyl ester
2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-, ethyl ester | [EINECS(EC#)]
249-053-3 | [Molecular Formula]
C7H8N2O4 | [MDL Number]
MFCD00057337 | [MOL File]
28485-17-8.mol | [Molecular Weight]
184.15 |
| Chemical Properties | Back Directory | [Appearance]
White crystalline powder | [Melting point ]
232-235°C | [density ]
1.344±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Crystalline Powder | [pka]
7.17±0.10(Predicted) | [color ]
White | [InChI]
InChI=1S/C7H8N2O4/c1-2-13-6(11)4-3-8-7(12)9-5(4)10/h3H,2H2,1H3,(H2,8,9,10,12) | [InChIKey]
MKNYHTGOVKPZMU-UHFFFAOYSA-N | [SMILES]
C1(=O)NC=C(C(OCC)=O)C(=O)N1 | [CAS DataBase Reference]
28485-17-8 |
| Hazard Information | Back Directory | [Chemical Properties]
White crystalline powder | [Synthesis]
Step 1. Urea (12 g, 200 mmol) was added to an ethanol solution (300 mL) of sodium ethoxide pre-prepared from sodium metal (5.52 g, 240 mmol, 1.2 equiv). Diethyl 2-(ethoxymethylene)malonate (43.2 g, 200 mmol, 1.0 eq.) was then added and the reaction mixture was stirred at 20 °C for 24 h. The reaction mixture was then warmed up to 90 °C and continued to be stirred for 24 h. The reaction mixture was then stirred at 20 °C for 24 h. Upon completion of the reaction, ethanol was removed by distillation under reduced pressure. Ice water (100 mL) was added to the residue to dissolve the solid. The product was precipitated by dropwise addition of cold dilute hydrochloric acid. The solid was collected by filtration to afford ethyl 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (8.5 g, 23% yield), which could be used in subsequent steps without further purification. | [References]
[1] Patent: WO2011/19405, 2011, A1. Location in patent: Page/Page column 119 |
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