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Cas Database |
| Name |
5,6-Dihydro-5-methyluracil |
EINECS | 211-787-7 |
| CAS No. | 696-04-8 | Density | 1.149 g/cm3 |
| PSA | 58.20000 | LogP | 0.11950 |
| Solubility | N/A | Melting Point |
263-265°C |
| Formula | C5H8N2O2 | Boiling Point | N/A |
| Molecular Weight | 128.131 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-Methyl-5,6-dihydropyrimidine-2,4-dione |
Article Data | 25 |
5,6-Dihydro-5-methyluracil Synthetic route
- 590-28-3
potassium cyanate
- 88512-06-5
β-aminoisobutyric acid methyl ester hydrochloride
- 696-04-8
5,6-dihydrothymine
| Conditions | Yield |
|---|---|
| Stage #1: potassium cyanate; β-aminoisobutyric acid methyl ester hydrochloride In water Milling; Green chemistry; Stage #2: With caesium carbonate In water Green chemistry; | 57% |
| Conditions | Yield |
|---|---|
| With hydrogen; 5% rhodium on alumina In water for 6h; | 56% |
| With sodium dihydrogenphosphate; water Irradiation; | |
| With hydrogen |
| Conditions | Yield |
|---|---|
| With Rh/Al2O3; acetic acid Hydrogenation; |
| Conditions | Yield |
|---|---|
| With methanol at 135℃; |
| Conditions | Yield |
|---|---|
| With Rh/Al2O3; water Hydrogenation; |
| Conditions | Yield |
|---|---|
| at 210 - 220℃; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 55 - 70℃; Kinetics; |
- 1195-73-9
5-bromo-6-hydroxy-5,6-dihydrothymine
A
- 2417-22-3
5-methylbarbituric acid
B
- 65-71-4
thymin
C
- 13514-92-6
6-Hydroxydihydrothymine
D
- 696-04-8
5,6-dihydrothymine
| Conditions | Yield |
|---|---|
| With sodium formate In water Mechanism; Irradiation; reaction in the presence of aromatic amine or inorganic reductant; | A 15 % Turnov. B 8 % Turnov. C 19 % Turnov. D n/a |
- 1124-84-1, 1431-06-7, 2943-56-8, 57908-05-1, 57908-06-2, 57968-48-6, 57968-49-7, 57968-50-0, 58000-49-0
cis-5,6-dihydroxy-5,6-dehydrothymine
A
- 2417-22-3
5-methylbarbituric acid
B
- 65-71-4
thymin
C
- 13514-92-6
6-Hydroxydihydrothymine
D
- 696-04-8
5,6-dihydrothymine
| Conditions | Yield |
|---|---|
| With sodium formate; iron(II) sulfate In water Mechanism; Product distribution; Irradiation; different inorganic reductants, absence of reductants, adding aromatic amines; using alcohols as scavenger; | A n/a B n/a C 14 % Turnov. D n/a |
| Conditions | Yield |
|---|---|
| Irradiation; |
5,6-Dihydro-5-methyluracil Chemical Properties
Molecular Structure of 5,6-Dihydro-5-methyluracil (CAS NO.696-04-8):
.png)
IUPAC Name: 5-methyl-1,3-diazinane-2,4-dione
Empirical Formula: C5H8N2O2
Molecular Weight: 128.1292
H bond acceptors: 4
}H bond donors: 2
Freely Rotating Bonds: 0
Polar Surface Area: 40.62 Å2
Index of Refraction: 1.452
Molar Refractivity: 30.11 cm3
Molar Volume: 111.5 cm3
Surface Tension: 32.1 dyne/cm
Density: 1.149 g/cm3
Melting point: 263-265°C
BRN: 81983
EINECS: 211-787-7
Product Categories: Nucleic acids
InChI
InChI=1/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)
Smiles
N1C([C@@H](C)CNC1=O)=O
5,6-Dihydro-5-methyluracil Safety Profile
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
5,6-Dihydro-5-methyluracil Specification
5,6-Dihydro-5-methyluracil , with CAS number of 696-04-8, can be called 5,6-Dihydro-5-methyl-2,4 dioxypyrimidine ; 5,6-dihydro-5-methyluracil ; 5-methyl-dihydro-pyrimidine-2,4-dione ; 5-methyl-5,6-dihydrouracil ; dihydrothymine ; 2,4(1H,3H)-Pyrimidinedione, dihydro-5-methyl- ; 5,6-Dihydro-2,4-dihydroxy-5-methylpyrimidine .
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