ETHYLISOXAZOLE-3-CARBOXYLATE
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ETHYLISOXAZOLE-3-CARBOXYLATE
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CAS No:
3209-70-9
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Formula:
C6H7NO3
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Chemical Name:
ETHYLISOXAZOLE-3-CARBOXYLATE
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Synonyms:
AKOSPAO-1389;4-CHLOROISOINDOLINEHCL;3-Ethoxycarbonylisoxazole;Ethylisoxazole-3-carboxy...;Ethylisoxazol-3-carboxylate;Ethyl3-isoxazolecarboxylate;ETHYLISOXAZOLE-3-CARBOXYLATE;Methylisoxazole-3-carboxylate;Ethyl5-isoxazole-3-carboxylate;ethyl1,2-oxazole-3-carboxylate
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CAS No:
ETHYLISOXAZOLE-3-CARBOXYLATE Use and Manufacturing
Intermediate 30 An oven dried 50 ml flask was charged with the alpha, gamma-diketoester intermediate 28 (437 mg, 1.58 mmol) and absolute ethanol (20 ml) to give a suspension, which at rt was added hydroxyamine hydrochloride (387 mg, 5.52 mmol). The reaction mixture was refluxed at 85 C. for 4 h, then cooled to rt and evaporated in vacuo. The solution of the residue in CH2Cl2 (100 ml) was washed with H2O (2*20 ml) and brine (20 ml), and dried (MgSO4). After evaporation in vacuo, the solids obtained were triturated with dry ether (2*1 ml) to give the a (i) The preparation of 3-aminomethylisoxazole is described below: Di-isobutylaluminium hydride (1.5M in toluene, 29 ml) was added to a solution of (a) 3-Hydroxymethyl isoxazole A solution of A stirred solution of
Computed Properties
Molecular Weight:141.12
XLogP3:0.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:141.042593085
Monoisotopic Mass:141.042593085
Topological Polar Surface Area:52.3
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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