6-Chloro-3-methyl-2,4(1H,3H)-pyrimidinedione
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6-Chloro-3-methyl-2,4(1H,3H)-pyrimidinedione
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CAS No:
4318-56-3
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Formula:
C5H5ClN2O2
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Chemical Name:
6-Chloro-3-methyl-2,4(1H,3H)-pyrimidinedione
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Synonyms:
2,4(1H,3H)-Pyrimidinedione,6-chloro-3-methyl-;Uracil,6-chloro-3-methyl-;6-Chloro-3-methyl-2,4(1H,3H)-pyrimidinedione;6-Chloro-3-methyluracil;3-Methyl-6-chlorouracil;6-Chloro-3-methylpyrimidine-2,4(1H,3H)-dione;NSC 55976;6-Chloro-3-methylpyrimidine-2,4-dione;6-Chloro-2-hydroxy-3-methylpyrimidin-4(3H)-one
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CAS No:
6-Chloro-3-methyl-2,4(1H,3H)-pyrimidinedione Basic Attributes
160.56
160.56
1308068-626-2
55976
DTXSID00195763
2933599090
Safety Information
UN 1992
3
36/37/38
26-36
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 49 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
6-Chloro-3-methyl-2,4(1H,3H)-pyrimidinedione Use and Manufacturing
Water (2.7 mL) is added dropwise to a suspension of 1 -methylpyrimidine-2, 4, 6(lH, 3//, 5H)-trione (14.2 g, 100 mol) in POCl(b) 6-Chloro-3-methylpyrimidine-2, 4(l/J, 3H)-dioneWater (2.7 mL) is added dropwise to a suspension of 1-methylpyrimidine- 2, 4, 6(lH, 3H, 5No.)-trione (14.2 g, 100 mol) in POClWater (2.7 mL) is added dropwise to a suspension of 1-methylpyrimidine-2, 4, 6(lH, 3H, 5H)-trione (14.2 g, 100 mol) in POCl1-methylpyrimidine-2, 4, 6-trione (80 g, 0.564 mol), Phosphorus oxychloride 400g, Cooling to 0°C, Control temperature is 05°C, stir for 0.5h, Warming to 60 °C reaction 1h.The excess phosphorus oxychloride is distilled off under reduced pressure.Cool down to 05°CAdded to 200 mL of methanol, Stirred for 1 h.Suction filtrationwashing, Dry to light yellow powder 3-methyl-6-chlorouracil 63.4g, yield70percent
6-Chloro-3-methyluracil have been used in the synthesis of antibacterial agents as inhibitors of Helicobacter pylori glutamate racemase.
Computed Properties
Molecular Weight:160.56
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:160.0039551
Monoisotopic Mass:160.0039551
Topological Polar Surface Area:49.4
Heavy Atom Count:10
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6-Chloro-3-methyl-2,4(1H,3H)-pyrimidinedione
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