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CAS No.: | 1193-24-4 |
---|---|
Name: | 4,6-Dihydroxypyrimidine |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C4H4N2O2 |
Molecular Weight: | 112.088 |
Synonyms: | 6-hydroxy-1H-pyrimidin-4-one;4,6-Dihydroxypyrimidine(DHP);4 (1H)-Pyrimidinone, 6-hydroxy-;4(3H)-Pyrimidinone, 6-hydroxy-;6-hydroxy-3H-pyrimidin-4-one;4,6-Pyrimidinediol;4,6-Dihydroxy pyrimidine 98%; |
EINECS: | 214-772-3 |
Density: | 1.4421 (rough estimate) |
Melting Point: | >300 °C(lit.) |
Boiling Point: | 358.5 °C at 760 mmHg |
Flash Point: | 170.6 °C |
Solubility: | 2.5 g/L (20 °C) |
Appearance: | pale yellow crystals |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 66.24000 |
LogP: | -0.11220 |
Conditions | Yield |
---|---|
With sulfuric acid; sodium methylate; formamide In methanol; water | 96% |
With hydrogenchloride | 76% |
With hydrogenchloride; sodium methylate; formamide In methanol; water | 75.1% |
In water | 74.8% |
formamide
malonic acid dimethyl ester
4,6-pyrimidinediol
Conditions | Yield |
---|---|
With sodium methylate In methanol at 60 - 70℃; for 8h; Large scale; | 90% |
Stage #1: formamide; malonic acid dimethyl ester With sodium methylate In methanol at 95℃; for 1h; Stage #2: With hydrogenchloride In water at 35℃; pH=2.8; Temperature; pH-value; Reagent/catalyst; Solvent; | 82.5% |
With sodium methylate In methanol at 50℃; for 2h; Concentration; Temperature; |
Conditions | Yield |
---|---|
With methanol; sodium methylate for 3h; Reflux; | 85% |
With sodium ethanolate In ethanol at 65 - 110℃; for 49h; | 82% |
Stage #1: formamide With sodium In ethanol at 45℃; for 10h; Stage #2: diethyl malonate In ethanol at 65 - 110℃; for 4h; | 67.9% |
Conditions | Yield |
---|---|
Stage #1: formamidine acetic acid With sodium methylate In methanol at 0℃; for 0.0833333h; Inert atmosphere; Stage #2: malonic acid dimethyl ester In methanol at 0℃; for 5h; Reflux; | 62% |
Conditions | Yield |
---|---|
reagiert analog mit Propionamidin; |
azoxystrobin
D
4,6-pyrimidinediol
Conditions | Yield |
---|---|
In methanol; water at 19℃; Quantum yield; Further Variations:; pH-values; UV-irradiation; | |
In methanol; water at 19℃; Quantum yield; Irradiation; |
Conditions | Yield |
---|---|
With sodium ethanolate In ethanol Reflux; |
Conditions | Yield |
---|---|
With sodium methylate In methanol at 0 - 25℃; for 18h; |
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IUPAC Name: 4-hydroxy-1H-pyrimidin-6-one
Empirical Formula: C4H4N2O2
Molecular Weight: 112.0868g/mol
EINECS: 214-772-3
Structure of 4,6-Dihydroxypyrimidine (CAS NO.1193-24-4):
Index of Refraction: 1.648
Molar Refractivity: 26.23 cm3
Molar Volume: 72 cm3
Polarizability: 10.4×10-24cm3
Surface Tension: 65.3 dyne/cm
Density: 1.55 g/cm3
Flash Point: 170.6 °C
Enthalpy of Vaporization: 62.78 kJ/mol
Melting Point: >300 °C(lit.)
Boiling Point: 358.5 °C at 760 mmHg
Vapour Pressure: 1.22E-05 mmHg at 25°C
Water Solubility: 2.5 g/L (20 º C)
Product Categories: PYRIMIDINE;FINE Chemical & INTERMEDIATES;APIs & Intermediate;Nucleotides and Nucleosides;Pyrimidines;Bases & Related Reagents;Nucleotides
Canonical SMILES: C1=C(N=CNC1=O)O
InChI: InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)
InChIKey: DUFGYCAXVIUXIP-UHFFFAOYSA-N
1. | pic-esc 1 g/L | ZAPOAK Zeitschrift fuer Allgemeine Mikrobiologie. Morphologie, Physiologie, Genetik und Oekologie der Mikroorganismen. 12 (1972),583. |
Reported in EPA TSCA Inventory.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 1
RTECS: UW7523000
Hazard Note: Irritant
HS Code 29335995
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
4,6-Dihydroxypyrimidine , its cas register number is 1193-24-4. It also can be called 4(3H)-Pyrimidinone, 6-hydroxy- ; 4,6-Dihydroxypyrimidin ; 4,6-Pyrimidinediol ; 6-Hydroxy-4(1H)-pyrimidinone ; NSC 22838 . 4,6-Dihydroxypyrimidine (CAS NO.1193-24-4) is a light yellow powder.