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| CAS No.: | 608-34-4 |
|---|---|
| Name: | 3-METHYLURACIL |
| Molecular Structure: | |
|
|
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| Formula: | C5H6N2O2 |
| Molecular Weight: | 126.115 |
| Synonyms: | Uracil,3-methyl- (7CI,8CI);3-Methyl-2,4(1H,3H)-pyrimidinedione;3-Methyluracil;NSC45626; |
| Density: | 1.263 g/cm3 |
| Melting Point: | 223-226 °C |
| Boiling Point: | 260.1 °C at 760 mmHg |
| Flash Point: | 111.1 °C |
| Solubility: | 200g/L(temperature not stated) |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 40 |
| Safety: | 22-36 |
| PSA: | 54.86000 |
| LogP: | -0.92640 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 27460-04-4
2-methoxy-3-methylpyrimidin-4(3H)-one
- 608-34-4
3-methyluracil
| Conditions | Yield |
|---|---|
| With hydrogenchloride In 1,4-dioxane at 60℃; for 2h; Hydrolysis; | 98% |
| Conditions | Yield |
|---|---|
| With N-methylphenothiazine at 170℃; for 0.5h; | 87% |
| With sodium dithionite; sodium carbonate In water; acetonitrile for 1h; Ambient temperature; | 85.6% |
| With Me2SiI In acetonitrile at 20℃; for 2h; | 7% |
| Conditions | Yield |
|---|---|
| Stage #1: orthoformic acid triethyl ester; Polymer: 4-phenylbutan-2-one cyclic malonic acid ester, bound to Merrifield resin for 6h; Heating; Stage #2: N-Methylurea for 12h; Heating; Stage #3: at 220 - 240℃; for 0.333333h; Further stages.; | 82% |
- 608-34-4
3-methyluracil
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide In 1,2-dichloro-ethane at 70℃; for 8h; | 80% |
- 576-28-3
3-methyl-2,3-dihydro-2-thioxo-pyrimidin-4(1H)-one
A
- 6104-45-6
3-methylpyrimidin-4-one
B
- 608-34-4
3-methyluracil
| Conditions | Yield |
|---|---|
| With oxygen; ozone In acetic acid for 0.1h; Ambient temperature; | A 72% B 25% C n/a |
- 113094-27-2
3-methyl-5,8-methano-3,4,r-4a,c-5,c-8,c-8a-hexahydroquinazoline-2,4-dione
- 608-34-4
3-methyluracil
| Conditions | Yield |
|---|---|
| for 0.166667h; Heating; | 65% |
| Conditions | Yield |
|---|---|
| With oxygen; aldehyde oxidase In water at 25℃; Kinetics; Mechanism; Product distribution; pH optimum; | 64% |
| Rabbit liver aldehyde oxidase immobilized onto DEAE Sepharose CL 6B at 4℃; 10 mM potassium phosphate buffer, pH 7.5, 0.1 mM EDTA; | 64 % Spectr. |
- 603-76-9
1-methylindole
- 6832-03-7
5-bromo-3-methyl-2,4(1H,3H)pyrimidinedione
A
- 608-34-4
3-methyluracil
B
- 89246-31-1
3-methyl-6-(1-methylindol-3-yl)uracil
C
- 89246-32-2
3-methyl-5-(1-methylindol-3-yl)uracil
| Conditions | Yield |
|---|---|
| at 170℃; for 0.5h; | A 55% B 9% C 18% |
- 6832-03-7
5-bromo-3-methyl-2,4(1H,3H)pyrimidinedione
- 952-92-1
1-Benzyl-1,4-dihydronicotinamide
A
- 608-34-4
3-methyluracil
B
- 61686-79-1
1-benzyl-3-methyl-2,4-pyrimidinedione
C
- 61686-78-0
5-benzyl-3-methyluracil
| Conditions | Yield |
|---|---|
| at 180℃; for 3h; Product distribution; Mechanism; examination of further 5-bromouracils, reducing compounds, solvent, temperature and reaction time; | A 54% B 9.7% C 19.4% |
| at 180℃; for 3h; | A 54% B 9.7% C 19.4% |
- 6832-03-7
5-bromo-3-methyl-2,4(1H,3H)pyrimidinedione
- 127-19-5
N,N-dimethyl acetamide
A
- 608-34-4
3-methyluracil
B
- 81078-01-5
5,5'-methylenebis(3-methyluracil)
| Conditions | Yield |
|---|---|
| at 180℃; for 6h; | A 50.4% B 37% |
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Specification
This chemical is called 2,4(1H,3H)-Pyrimidinedione, 3-methyl-, and it can also be named as 3-Methyluracil. With the molecular formula of C5H6N2O2, its product categories are Biochemicals and Reagents; Nucleoside Analogs; Nucleosides, Nucleotides, Oligonucleotides. The CAS registry number of this chemical is 608-34-4. Additionally, it should be stored at -20°C.
Other characteristics of the 2,4(1H,3H)-Pyrimidinedione, 3-methyl- can be summarised as followings: (1)ACD/LogP: -0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.25; (4)ACD/LogD (pH 7.4): -0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.35; (8)ACD/KOC (pH 7.4): 17.17; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 29.93 cm3; (15)Molar Volume: 99.8 cm3; (16)Polarizability: 11.86×10-24cm3; (17)Surface Tension: 41.3 dyne/cm; (18)Density: 1.263 g/cm3; (19)Flash Point: 111.1 °C; (20)Enthalpy of Vaporization: 57.82 kJ/mol; (21)Boiling Point: 260.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00181 mmHg at 25°C.
Production method of this chemical: The 2,4(1H,3H)-Pyrimidinedione, 3-methyl- could be obtained by the reactant of 3-methyl-3H-pyrimidin-4-one. This reaction needs the catalyts of Rabbit liver aldehyde oxidase immobilized onto DEAE Sepharose CL 6B. The yield is 64 %. In addition, this reaction should be taken at 4 °C.
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Uses of this chemical: The 2,4(1H,3H)-Pyrimidinedione, 3-methyl- could react with 1,4-diiodo-butane, and obtain the 1,1'-tetramethylenebis(3-methyluracil). This reaction needs the reagent of NaH, and the solvent of dimethylformamide. The yield is 43 %. In addition, this reaction should be taken for 20 hours at 20-80 °C.
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When you are using this chemical, please be cautious about it as the following: This chemical has limited evidence of a carcinogenic effect. Do not breathe dust. Wear suitable protective clothing.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1\C=C/NC(=O)N1C
2.InChI: InChI=1/C5H6N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3H,1H3,(H,6,9)
3.InChIKey: VPLZGVOSFFCKFC-UHFFFAOYAH