ETHYL 5-METHYLOXAZOLE-4-CARBOXYLATE
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ETHYL 5-METHYLOXAZOLE-4-CARBOXYLATE
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CAS No:
32968-44-8
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Formula:
C7H9NO3
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Chemical Name:
ETHYL 5-METHYLOXAZOLE-4-CARBOXYLATE
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Synonyms:
Ethyl 5-Methyloxazole-4-carboxylate;ethyl 5-methyl-1,3-oxazole-4-carboxylate;4-Oxazolecarboxylic acid, 5-methyl-, ethyl ester;MFCD00105462;5-METHYL-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;SCHEMBL13545974;CTK4G9641;KS-00000OQS;DTXSID70480754;ANW-66414
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CAS No:
ETHYL 5-METHYLOXAZOLE-4-CARBOXYLATE Use and Manufacturing
General procedure: Thecorresponding carboxylic acid 11a'm (0.307 mol) wasdissolved in THF (350 ml), and CDI (59.7 g, 0.368 mol)was added in portions to the solution. The resulting mixturewas heated at 55°C for 1 h and then cooled to 0°C. Ethyl2-isocyanoacetate 12 (41.6 g, 0.368 mol) was added in oneportion, then DBU (56.0 g, 0.368 mol) was added dropwiseat 0°C, and the resulting mixture was stirred at room temperaturefor 12 h. Then THF was evaporated under reducedpressure, the residue was dissolved in EtOAc (500 ml) andwashed with 10percent aq solution of citric acid (300 ml), H2O(500 ml), and brine (300 ml). The organic phase was driedover Na2SO4 and evaporated under reduced pressure.Ethyl 5-methyloxazole-4-carboxylate (10a). Yield35.7 g (75percent), yellowish liquid. For physical and spectraldata, see ref.2
Computed Properties
Molecular Weight:155.15
XLogP3:1.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:155.058243149
Monoisotopic Mass:155.058243149
Topological Polar Surface Area:52.3
Heavy Atom Count:11
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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ETHYL 5-METHYLOXAZOLE-4-CARBOXYLATE
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