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| | 2-AMINO-OXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER Basic information |
| Product Name: | 2-AMINO-OXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER | | Synonyms: | 2-AMINO-OXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER;5-(Ethoxycarbonyl)-1,3-oxazol-2-amine;ETHYL 2-AMINOOXAZOLE-5-CARBOXYLATE;ETHYL 2-AMINO-5-OXAZOLECARBOXYLATE;ETHYL 2-AMINO-1,3-OXAZOLE-5-CARBOXYLATE;Ethyl 2-amino-1,3-oxazole-5-carboxylate 98%;5-(Ethoxycarbonyl)-1,3-oxazol-2-amine, 2-Amino-5-(ethoxycarbonyl)-1,3-oxazole;5-Oxazolecarboxylicacid, 2-aMino-, ethyl ester | | CAS: | 113853-16-0 | | MF: | C6H8N2O3 | | MW: | 156.14 | | EINECS: | | | Product Categories: | Amines;blocks;Carboxes;Oxazoles | | Mol File: | 113853-16-0.mol |  |
| | 2-AMINO-OXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER Chemical Properties |
| Melting point | 151-153 | | Boiling point | 282.9±32.0 °C(Predicted) | | density | 1.278±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C | | form | solid | | pka | 3.39±0.10(Predicted) | | color | Off white | | InChI | InChI=1S/C6H8N2O3/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3,(H2,7,8) | | InChIKey | UHUDJKCNXFBBHU-UHFFFAOYSA-N | | SMILES | O1C(C(OCC)=O)=CN=C1N |
| Hazard Codes | Xi | | Hazard Note | Irritant | | HS Code | 2934999090 |
| | 2-AMINO-OXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER Usage And Synthesis |
| Synthesis | GENERAL STEPS: Ethyl 2-chloro-3-oxopropionate (13) (4.48 g, 29.8 mmol, 1.00 equiv) and urea (1.79 g, 29.8 mmol, 1.00 equiv) were dissolved in 40 mL of water. The reaction mixture was stirred at 100 °C for 1 hour. After completion of the reaction, the light yellow suspension was cooled to room temperature and neutralized with saturated NaHCO3 solution. Subsequently, the reaction mixture was extracted with ethyl acetate (3 x 50 mL). The organic layers were combined, dried with anhydrous Na2SO4, filtered and concentrated under reduced pressure. The crude product was purified by fast liquid chromatography (silica gel, n-hexane/ethyl acetate = 1/2) to afford ethyl 2-aminooxazole-5-carboxylate (14) (2.40 g, 15.4 mmol, 51.3% yield). | | References | [1] European Journal of Medicinal Chemistry, 2017, vol. 126, p. 754 - 761 |
| | 2-AMINO-OXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER Preparation Products And Raw materials |
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