6-Amino-1,3,5-triazin-2(1H)-one
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6-Amino-1,3,5-triazin-2(1H)-one
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CAS No:
931-86-2
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Formula:
C3H4N4O
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Chemical Name:
6-Amino-1,3,5-triazin-2(1H)-one
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Synonyms:
1,3,5-Triazin-2(1H)-one,6-amino-;s-Triazin-2(1H)-one,4-amino-;1,3,5-Triazin-2(1H)-one,4-amino-;s-Triazin-2-ol,4-amino-;6-Amino-1,3,5-triazin-2(1H)-one;5-Azacytosine;2-Hydroxy-4-aminotriazine;4-Amino-2-hydroxy-1,3,5-triazine;NSC 51100;NSC 54006;4-Amino-1,3,5-triazin-2-ol;4040-10-2
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CAS No:
Description
Crystalline Solid
5-azacytosine is a monoamino-1,3,5-triazine that is cytosine in which the aromatic CH at position 5 is replaced by a nitrogen.
6-Amino-1,3,5-triazin-2(1H)-one Basic Attributes
112.09
112.09
116378
213-242-9
C5UW4MS7VR
54006|51100
DTXSID80239275
2933699090
Characteristics
79.8
-1.2
crystalline solid
1.86
175-180 °C @ Solvent: Ethanol
503.1ºC at 760 mmHg
258.1ºC
1.801
-20°C Freezer
Safety Information
NONH for all modes of transport
3
20/21/22-36/37/38
22-24/25-36-26
XZ2854300
Xi,Xn
Stable under normal temperatures and pressures.
P301 + P312 + P330
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 42 companies from 3 notifications to the ECHA C&L Inventory.
6-Amino-1,3,5-triazin-2(1H)-one Use and Manufacturing
To 10L autoclave followed by anhydrous formic acid (99.5percent) 1.5Kg, Dicyandiamide 2.5 Kg and p-toluenesulfonic acid catalyst (0.005 Kg). In sealed and stirred state, The reactor pressure and slowly warmed to 110 , After the reaction, Slowly reduce the reaction temperature to room temperature, A white solid was obtained.(2)The white solid was transferred to a 50 L glass reaction kettle, Add 10L mass concentration of 5percent dilute hydrochloric acid.Heated to reflux for 30 minutes until the solution becomes clear, The mixture was filtered through a filter cartridge to the crystallizer, The filtrate was added 30percent aqueous ammonia in the crystallizer to adjust the pH to 6, Precipitation of white crystals, After centrifugation, After drying in a hot air oven, 5-azacytosine 2.8 kg (85percent yield based on dicyandiamide) was obtained.140 kg of formic acid was charged into a reaction kettle, Turn on agitation, Twenty five kilograms of dicyandiamide, The reaction temperature will gradually increase, Control temperature below 60 , The reaction temperature is no longer rising after the batch will be the remaining 75 kg of dicyandiamide in 4 to 5 hours to join the reactor, The reaction temperature is controlled at 50 to 60 DEG C for 4 hours;Then stop the temperature control measures, The reaction temperature increased slowly on its own, The temperature was raised to 100 to 110 ° C for 1 hour.120 kg of acetic anhydride will drop into the reactor, During the dropping, the temperature was maintained at 100 to 110 ° C, After dripping, And stirred at this temperature for 45 minutes;Again dropping 100 kg of acetic anhydride, After dripping, Heating to reflux, The reflux reaction was maintained for 2 hours.After refluxing, Stirring down to 60 ~ 70 , Adding 120 kg of ethanol, And continued to cool to room temperature.filter, Filter cake into the reactor, 480 kg of ethyl acetate and 96 kg of ethanol were added, Heated to 65 ~ 75 , After stirring for 1 hour, Filter cake drying, Can be 5-azacytosine 74 kg, HPLC purity 98.9percentImpurity 1 content of 0.34percentImpurity 2 content of 0.06percent.
Inhibits the growth of Escherichia coli
Computed Properties
Molecular Weight:112.09
XLogP3:-1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Exact Mass:112.03851076
Monoisotopic Mass:112.03851076
Topological Polar Surface Area:79.8
Heavy Atom Count:8
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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