1,3-Dimethyluracil
Synonym(s):1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione;2,4-Dihydroxy-1,3-dimethylpyrimidine
- CAS NO.:874-14-6
- Empirical Formula: C6H8N2O2
- Molecular Weight: 140.14
- MDL number: MFCD00038065
- EINECS: 212-856-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-18 11:31:13
What is 1,3-Dimethyluracil?
Chemical properties
white to light yellow needles
The Uses of 1,3-Dimethyluracil
1,3-Dimethyluracil is suitable reagent used to investigate the steady-state absorption and fluorescence spectra of uracil derivatives. It may be used in the preparation of 2,6-dihydroxynicotinamide.
Definition
ChEBI: 1,3-dimethyluracil is a pyrimidone that is uracil with methyl group substituents at positions 1 and 3. It has a role as a metabolite. It is functionally related to a uracil.
General Description
1,3-Dimethyluracil is a pyrimidine derivative. Stability of the C6-centered carbanions derived from 1,3-dimethyluracil has been investigated in the gas phase and in DMSO and water solutions. The excited state structural dynamics of 1,3-dimethyluracil (DMU) in water and acetonitrile has been studied by resonance Raman spectroscopy. Crystal structure of 1,3-dimethyluracil has been reported. Ultraviolet irradiation of aqueous 1,3-dimethyluracil results in hydration of the 5:6 double bond of the uracil ring to form 1,3-dimethyl-6-oxy-hydrouracil.
Purification Methods
Crystallise it from EtOH/ether. [Beilstein 24 III/IV 1196.]
Properties of 1,3-Dimethyluracil
Melting point: | 119-122 °C (lit.) |
Boiling point: | 256.63°C (rough estimate) |
Density | 1.2850 (rough estimate) |
refractive index | 1.5010 (estimate) |
storage temp. | Sealed in dry,Room Temperature |
pka | -2.04±0.20(Predicted) |
form | powder to crystal |
color | White to Almost white |
Water Solubility | almost transparency |
BRN | 124074 |
CAS DataBase Reference | 874-14-6(CAS DataBase Reference) |
NIST Chemistry Reference | 2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-(874-14-6) |
EPA Substance Registry System | 2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl- (874-14-6) |
Safety information for 1,3-Dimethyluracil
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P312:Call a POISON CENTER or doctor/physician if you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. |
Computed Descriptors for 1,3-Dimethyluracil
InChIKey | JSDBKAHWADVXFU-UHFFFAOYSA-N |
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