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CAS No.: | 4318-56-3 |
---|---|
Name: | 6-Chloro-3-methyluracil |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C5H5ClN2O2 |
Molecular Weight: | 160.56 |
Synonyms: | Uracil,6-chloro-3-methyl- (7CI,8CI);3-Methyl-6-chlorouracil;6-Chloro-3-methylpyrimidine-2,4(1H,3H)-dione;NSC55976;6-Chloro-3-methyl uracil; |
EINECS: | 610-113-2 |
Density: | 1.51 g/cm3 |
Melting Point: | 278-280°C (dec.) |
Boiling Point: | 268.7 °C at 760 mmHg |
Flash Point: | 116.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
Transport Information: | UN 1992 |
PSA: | 54.86000 |
LogP: | -0.27300 |
3-methyl-6-chlorouracil
Conditions | Yield |
---|---|
With trichlorophosphate In water; acetonitrile at 8 - 80℃; for 2h; Temperature; | 85.3% |
Conditions | Yield |
---|---|
With water; trichlorophosphate at 80℃; for 4h; | 81% |
With water; trichlorophosphate at 80℃; for 2h; | 80% |
With trichlorophosphate at 0 - 80℃; | 71.6% |
6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione
3-methyl-6-chlorouracil
Conditions | Yield |
---|---|
With trichlorophosphate In acetonitrile at 120℃; for 0.333333h; Microwave irradiation; | 80% |
Conditions | Yield |
---|---|
Stage #1: malonic acid; N-Methylurea With acetic anhydride; acetic acid Stage #2: With trichlorophosphate |
Conditions | Yield |
---|---|
In chlorobenzene for 7h; Heating; | 100% |
3-methyl-6-chlorouracil
6-hydrazinyl-3-methylpyrimidine-2,4(1H,3H)-dione
Conditions | Yield |
---|---|
With hydrazine hydrate In ethanol at 20 - 80℃; | 100% |
With hydrazine hydrate In ethanol at 80℃; for 1h; | 100% |
With hydrazine hydrate In ethanol at 80℃; for 1h; Inert atmosphere; | 100% |
3-methyl-6-chlorouracil
2-(bromomethyl)-4-fluorobenzonitrile
2-[(6-chloro-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-4-fluorobenzonitrile
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In 1-methyl-pyrrolidin-2-one at 20 - 55℃; for 4h; Time; Temperature; | 98.9% |
Stage #1: 3-methyl-6-chlorouracil; 2-(bromomethyl)-4-fluorobenzonitrile In tetrahydrofuran at 40℃; for 0.25h; Stage #2: With sodium hydrogencarbonate; copper(II) acetylacetonate In tetrahydrofuran at 60℃; for 3h; Temperature; Reagent/catalyst; | 98.93% |
With N-ethyl-N,N-diisopropylamine In butan-1-ol at 107℃; for 2h; Solvent; Temperature; Reagent/catalyst; | 96.6% |
4-amino-N,N-dimethylaniline
3-methyl-6-chlorouracil
6-(4-Dimethylamino-anilino)-3-methyl-2,4(1H,3H)-pyrimidindion
Conditions | Yield |
---|---|
With sodium hydroxide for 0.5h; | 98% |
Heating; | 92% |
Conditions | Yield |
---|---|
In butan-1-ol for 3h; Substitution; Heating; | 97% |
3-methyl-6-chlorouracil
2-(bromomethyl)benzonitrile
2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile
Conditions | Yield |
---|---|
Stage #1: 3-methyl-6-chlorouracil With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 23℃; for 0.25h; Schlenk technique; Inert atmosphere; Stage #2: 2-(bromomethyl)benzonitrile In tetrahydrofuran at 65℃; for 2h; Schlenk technique; Inert atmosphere; | 96% |
With 1-methyl-pyrrolidin-2-one; N-ethyl-N,N-diisopropylamine at 60 - 65℃; for 3h; Large scale; | 96.42% |
With N-ethyl-N,N-diisopropylamine In dichloromethane at 40 - 45℃; Solvent; Temperature; | 95.8% |
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IUPAC Name: 6-Chloro-3-methyl-1H-pyrimidine-2,4-dione
Following is the structure of 2,4(1H,3H)-Pyrimidinedione,6-chloro-3-methyl- (CAS NO.4318-56-3):
Empirical Formula: C5H5ClN2O2
Molecular Weight: 160.5584 g/mol
Molar Refractivity: 35.42 cm3
Molar Volume: 106.3 cm3
Density: 1.51 g/cm3
Flash Point: 116.3 °C
Index of Refraction: 1.58
Surface Tension: 54.1 dyne/cm
Melting point: 278-280 °C (dec.)
Enthalpy of Vaporization: 58.85 kJ/mol
Boiling Point: 268.7 °C at 760 mmHg
Vapour Pressure of 2,4(1H,3H)-Pyrimidinedione,6-chloro-3-methyl- (CAS NO.4318-56-3): 0.00101 mmHg at 25 °C
Product Categories of 2,4(1H,3H)-Pyrimidinedione,6-chloro-3-methyl- (CAS NO.4318-56-3): Pyrimidine; Biochemistry; Nucleobases and their analogs; Nucleosides, Nucleotides & Related Reagents
Canonical SMILES: CN1C(=O)C=C(NC1=O)Cl
InChI: InChI=1S/C5H5ClN2O2/c1-8-4(9)2-3(6)7-5(8)10/h2H,1H3,(H,7,10)
InChIKey: SGLXGFAZAARYJY-UHFFFAOYSA-N
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: UN 1992
Hazard Note: Irritant
2,4(1H,3H)-Pyrimidinedione,6-chloro-3-methyl- , its cas register number is 4318-56-3. It also can be called 6-Chloro-3-methyluracil ; 6-Chloro-3-methylpyrimidine-2,4(1H,3H)-dione ; and 3-Methyl-6-chlorouracil .