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| CAS No.: | 626-48-2 |
|---|---|
| Name: | 6-Methyluracil |
| Molecular Structure: | |
|
|
|
| Formula: | C5H6N2O2 |
| Molecular Weight: | 126.115 |
| Synonyms: | Uracil, 6-methyl-;2,4-Pyrimidinediol, 6-methyl-;2,4 (1H,3H)-Pyrimidinedione, 6-methyl-;Methacyl;Metacyl;6-methyl-1H-pyrimidine-2,4-dione;6-Methyluracil;AWD 23-15;2,4(1H,3H)-Pyrimidinedione,6-methyl-;4-Methyluracil;2 (1H)-Pyrimidinone, 4-hydroxy-6-methyl-;2,4-Dihydroxy-6-methylpyrimidine; |
| EINECS: | 210-949-4 |
| Density: | 1.226 g/cm3 |
| Melting Point: | 318 °C (dec.)(lit.) |
| Boiling Point: | 420.4 °C at 760 mmHg |
| Flash Point: | 208 °C |
| Solubility: | 7 g/L (22 °C) in water |
| Appearance: | white to off-white crystalline solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 62-63 |
| Safety: | 36/37/39-45 |
| PSA: | 65.72000 |
| LogP: | -0.62840 |
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| Conditions | Yield |
|---|---|
| With sodium hydroxide; methyloxirane In water at 20℃; | 100% |
| With potassium tert-butylate; iodine In tert-butyl alcohol for 30h; Heating; | 95% |
| Stage #1: 6-methyl-2-thiouracil With chloroacetic acid In water for 9h; Reflux; Stage #2: With hydrogenchloride In water for 10 - 12h; Reflux; | 85% |
- 879499-39-5
[1-(4-isopropoxy-6-methylpyrimidin-2-yl)-piperidin-2-yl]-methanol
- 626-48-2
6-Methyluracil
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water at 90℃; for 0.333333h; | 100% |
- 141-43-5
ethanolamine
- 155632-06-7
6-methyl-2,4-pyrimidine-diyl dibenzoate
A
- 626-48-2
6-Methyluracil
B
- 18838-10-3
N-(2-hydroxyethyl)-benzamide
| Conditions | Yield |
|---|---|
| In dichloromethane for 0.25h; Heating; | A n/a B 99% |
- 6456-74-2
Glycine tert-butyl ester
- 155632-06-7
6-methyl-2,4-pyrimidine-diyl dibenzoate
A
- 626-48-2
6-Methyluracil
B
- 19811-56-4
hippuric acid tert-butyl ester
| Conditions | Yield |
|---|---|
| In dichloromethane for 0.5h; Heating; | A n/a B 98% |
- 626-48-2
6-Methyluracil
| Conditions | Yield |
|---|---|
| With oxone In 1,4-dioxane; water Heating; | 98% |
| Conditions | Yield |
|---|---|
| With potassium tert-butylate; iodine In tert-butyl alcohol for 30h; Heating; further halogen as catalysts; | 95% |
| Conditions | Yield |
|---|---|
| With potassium tert-butylate; iodine In tert-butyl alcohol for 30h; Product distribution; conversion of thiocarbonyl compounds into their corresponding oxygen analogues using alkoxides and hydroxide with halogens as catalysts; | A 95% B n/a |
- 7625-53-8, 10065-72-2, 21705-13-5
rac-Ala-OMe
- 155632-06-7
6-methyl-2,4-pyrimidine-diyl dibenzoate
A
- 626-48-2
6-Methyluracil
B
- 7244-67-9
methyl N-benzoylalaninate
| Conditions | Yield |
|---|---|
| dmap In dichloromethane for 0.5h; Heating; | A n/a B 93% |
- 109-89-7
diethylamine
- 155632-06-7
6-methyl-2,4-pyrimidine-diyl dibenzoate
A
- 626-48-2
6-Methyluracil
B
- 1696-17-9
N,N-diethylbenzamide
| Conditions | Yield |
|---|---|
| triethylamine In dichloromethane for 2h; Heating; | A n/a B 92% |
- 627-37-2
N-methyl-N-allylamine
- 155632-06-7
6-methyl-2,4-pyrimidine-diyl dibenzoate
A
- 626-48-2
6-Methyluracil
B
- 65178-52-1
N-allyl-N-methylbenzamide
| Conditions | Yield |
|---|---|
| triethylamine In dichloromethane for 1h; Heating; | A n/a B 90% |
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Consensus Reports
Specification
The 6-Methyluracil, with its CAS registry number 626-48-2, has the IUPAC name of 6-methyl-1H-pyrimidine-2,4-dione. For being a kind of off-white crystalline solid, its product categories are including Pyridines, Pyrimidines, Purines and Pteredines; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides.
Physical properties about 6-Methyluracil are: (1)ACD/LogP: -0.621; (2)ACD/LogD (pH 5.5): -0.62; (3)ACD/LogD (pH 7.4): -0.63; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 10.94; (7)ACD/KOC (pH 7.4): 10.79; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)Index of Refraction: 1.49; (11)Molar Refractivity: 29.712 cm3; (12)Molar Volume: 102.793 cm3; (13)Polarizability: 11.779 10-24cm3; (14)Surface Tension: 35.7410011291504 dyne/cm; (15)Density: 1.227 g/cm3; (16)Flash Point: 208 °C; (17)Enthalpy of Vaporization: 70.04 kJ/mol; (18)Boiling Point: 420.4 °C at 760 mmHg; (19)Vapour Pressure: 1.16E-07 mmHg at 25°C
Preparation of 6-Methyluracil :As to its production method, it could be prepared by the condensation of urea and ethyl acetoacetate and then go through the cyclization.
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When you are dealing with this chemical, you should be cautious. This is harmful which may cause damage to health, and it will have possible risk of impaired fertility and then have the risk of of harm to the unborn child. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=O)NC(=O)N1
(2)InChI: InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
(3)InChIKey: SHVCSCWHWMSGTE-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | oral | 2gm/kg (2000mg/kg) | Russian Pharmacology and Toxicology Vol. 48, Pg. 186, 1985. | |
| mouse | LD50 | intraperitoneal | 2700mg/kg (2700mg/kg) | Pharmaceutical Chemistry Journal Vol. 27, Pg. 112, 1993. | |
| mouse | LD50 | oral | > 7500mg/kg (7500mg/kg) | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 44, Pg. 56, 1955. | |
| rat | LD50 | oral | 64500mg/kg (64500mg/kg) | Personal Communication from LONZA Ltd., CH-4002, Basel, SwitzerlandVol. 03FEB1981, |