Ethyl2-amino-4-methyloxazole-5-carboxylate
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Ethyl2-amino-4-methyloxazole-5-carboxylate
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CAS No:
79221-15-1
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Formula:
C7H10N2O3
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Chemical Name:
Ethyl2-amino-4-methyloxazole-5-carboxylate
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Synonyms:
Ethyl2-amino-4-methyloxazole-5-carboxylate;Ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate;2-Amino-5-(ethoxycarbonyl)-4-methyl-1,3-oxazole;Ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate 95+%
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CAS No:
Ethyl2-amino-4-methyloxazole-5-carboxylate Basic Attributes
170.167
170.069138
DTXSID10508961
2934999090
Safety Information
IRRITANT
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302+H312+H332
|Warning|H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Ethyl2-amino-4-methyloxazole-5-carboxylate Use and Manufacturing
A solution of the ethyl acetoacetate (1 g, 6.07 mmol) in acetonitrile (10 ml) was treated with hydroxy-tosyloxyiodobenzene (2.85 g, 7.28 mmol, 1.2 equiv) and the mixture was stirred at room temperature (˜25° C.) for about 20 min and then heated at about 80° C. for about 2 hours. Urea (0.43 g, 7.28 mmol, 1.2 equiv) was added and the reaction mixture was heated at about 80° C. for about 16 hours. After completion of the reaction, the acetonitrile was removed and the residue partitioned between 5percent aq. Sodium bicarbonate solution and ethyl acetate. The combined organics were dried over sodium sulphate and concentrated. The crude compound was taken up in 6 N HCl solution and extracted with ether. The acidic portion was neutralized with solid Sodium bicarbonate under ice-cooled condition and the resultant solid was filtered under vacuum to afford the product (320 mg) [0455] EIMS m/z 170.84 [M+H]
Computed Properties
Molecular Weight:170.17
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:170.06914219
Monoisotopic Mass:170.06914219
Topological Polar Surface Area:78.4
Heavy Atom Count:12
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of Ethyl2-amino-4-methyloxazole-5-carboxylate
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Ethyl2-amino-4-methyloxazole-5-carboxylate
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