4,6-Dihydroxypyrimidine
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4,6-Dihydroxypyrimidine
structure -
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CAS No:
1193-24-4
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Formula:
C4H4N2O2
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Chemical Name:
4,6-Dihydroxypyrimidine
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Synonyms:
4(3H)-Pyrimidinone,6-hydroxy-;4(1H)-Pyrimidinone,6-hydroxy-;4,6-Pyrimidinediol;6-Hydroxy-4(3H)-pyrimidinone;4,6-Dihydroxypyrimidine;NSC 22838;6-Hydroxypyrimidin-4(3H)-one;18337-68-3
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CAS No:
4,6-Dihydroxypyrimidine Basic Attributes
112.09
112.09
606433
214-772-3
6L93V0S662
22838
DTXSID6025434
29335995
Characteristics
61.7
-0.9
Yellow to orange Powder
1.4421 (rough estimate)
>230 °C (decomp)
209.98°C (rough estimate)
170.6±22.3 °C
1.4610 (estimate)
H2O: 2.5 g/L (20 º C)
Store below +30°C.
Safety Information
NONH for all modes of transport
1
36/37/38
26-36-37/39
UW7523000
Xi
Irritant
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P305 + P351 + P338
H315-H319-H335
|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 82 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4,6-Dihydroxypyrimidine Use and Manufacturing
80.0 g of dimethyl malonate and 60.0 g of formamide were mixed, At 100 excess sodium methoxide methanol solution was added, incubated for 1h, A mixture of 4, 6-dihydroxypyrimidine sodium salt was obtained; subsequently, the temperature was lowered to 70CConcentrate the methanol and add water to continue to concentrate; then add water to dissolve4, 6-dihydroxypyrimidine sodium salt mixture to form 4, 6-dihydroxypyrimidine reaction solution.The bipolar membrane was used to treat it until the pH of the bipolar membrane treatment solution was 9.0.The resulting bipolar membrane treatment solution was acidified with 131.9 g of 37percent strength by weight hydrochloric acid at 40 ° C, Acidified to a solution pH of 2.5, then the resulting acid solution was suction filtered and dried, 55.9 g of 4, 6-dihydroxypyrimidine product was obtained. After testing, the purity of the product was 98.2percentYield 82.1percent.
Used in the production of sulfamethoxine and other drugs
4(3H)-Pyrimidinone, 6-hydroxy-: INACTIVE
Computed Properties
Molecular Weight:112.09
XLogP3:-0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:112.027277375
Monoisotopic Mass:112.027277375
Topological Polar Surface Area:61.7
Heavy Atom Count:8
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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