Ethyl 1,6-dihydro-2-(methylthio)-6-oxo-5-pyrimidinecarboxylate
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Ethyl 1,6-dihydro-2-(methylthio)-6-oxo-5-pyrimidinecarboxylate
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CAS No:
53554-29-3
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Formula:
C8H10N2O3S
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Chemical Name:
Ethyl 1,6-dihydro-2-(methylthio)-6-oxo-5-pyrimidinecarboxylate
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Synonyms:
5-Pyrimidinecarboxylic acid,1,6-dihydro-2-(methylthio)-6-oxo-,ethyl ester;5-Pyrimidinecarboxylic acid,1,4-dihydro-2-(methylthio)-4-oxo-,ethyl ester;5-Pyrimidinecarboxylic acid,4-hydroxy-2-(methylthio)-,ethyl ester;Ethyl 1,6-dihydro-2-(methylthio)-6-oxo-5-pyrimidinecarboxylate;Ethyl 2S-methyl-4-hydroxypyrimidine-5-carboxylate;2-Methylmercapto-4-hydroxy-5-carbethoxypyrimidine;NSC 104155;NSC 43816;4-Hydroxy-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester;4-Hydroxy-2-methylthiopyrimidine-5-carboxylic acid ethyl ester;1,4-Dihydro-2-(methylthio)-4-oxo-5-pyrimidinecarboxylic acid ethyl ester
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CAS No:
Ethyl 1,6-dihydro-2-(methylthio)-6-oxo-5-pyrimidinecarboxylate Basic Attributes
214.24
214.24
633-406-7
43816
DTXSID80286103
2933599090
Safety Information
IRRITANT
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Ethyl 1,6-dihydro-2-(methylthio)-6-oxo-5-pyrimidinecarboxylate Use and Manufacturing
To a solution of sodium ethoxide (1.36 g, 20.0 mmol) in ethanol (15 mL) was added S-methylisothiourea sulfate (5.57 g, 40.0 mmol) at 0 °C. After a few minutes, diethyl ethoxymethylenemalonate (4.00 mL, 19.8 mmol) was added. After stirring at 0 °C for 3 h, a solution of sodium ethoxide (1.36 g, 20.0 mmol) in ethanol (15 mL) was added. The resulted solution was stirred at room temperature overnight. Ethanol was removed under reduced pressure and the pale yellow residue was dissolved in water. After filtration, the aqueous filtrate was washed with ether and acidified with acetic acid (10 mL). The organic materials were extracted with CHCl
Computed Properties
Molecular Weight:214.24
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:214.04121336
Monoisotopic Mass:214.04121336
Topological Polar Surface Area:93.1
Heavy Atom Count:14
Complexity:323
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 1,6-dihydro-2-(methylthio)-6-oxo-5-pyrimidinecarboxylate
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