4-Chloro-2-(methylsulfonyl)pyrimidine
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4-Chloro-2-(methylsulfonyl)pyrimidine
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CAS No:
97229-11-3
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Formula:
C5H5ClN2O2S
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Chemical Name:
4-Chloro-2-(methylsulfonyl)pyrimidine
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Synonyms:
Pyrimidine,4-chloro-2-(methylsulfonyl)-;4-Chloro-2-(methylsulfonyl)pyrimidine
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CAS No:
4-Chloro-2-(methylsulfonyl)pyrimidine Basic Attributes
192.62
192.62
1312995-182-4
DTXSID70456893
2933599090
4-Chloro-2-(methylsulfonyl)pyrimidine Use and Manufacturing
4-Chloro-2-methylpyrimidine (Compound 1) (7.25 mL, 62.3 mmol) and 95percent ethanol (100 mL) were added to a 250 mL single-necked flask with magnetic stirring, and the mixture was stirred and cooled to 0 ° C. Hydrogen peroxide (30percent, 14.4 mL, 187 mmol) of ammonium tetramohydrate tetrahydrate (2.18 g, 1.87 mmol) was slowly added dropwise, and the mixture was warmed to room temperature after stirring, and the reaction was stirred overnight under nitrogen.The organic solvent was evaporated under reduced pressure, and water (200 mL) was evaporated.Dry over anhydrous sodium sulfate, filter, concentrate, Silica gel column chromatography gave 10.2 g of a white solid.The yield was 85.7percent.
Computed Properties
Molecular Weight:192.62
XLogP3:0.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:191.9760263
Monoisotopic Mass:191.9760263
Topological Polar Surface Area:68.3
Heavy Atom Count:11
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Chloro-2-(methylsulfonyl)pyrimidine
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