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4318-56-3

Basic Information
CAS No.: 4318-56-3
Name: 6-Chloro-3-methyluracil
Article Data: 25
Molecular Structure:
Molecular Structure of 4318-56-3 (6-Chloro-3-methyluracil)
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: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information: UN 1992
PSA: 54.86000
LogP: -0.27300
Synthetic route

1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione sodium salt

4318-56-3

3-methyl-6-chlorouracil

Conditions
ConditionsYield
With trichlorophosphate In water; acetonitrile at 8 - 80℃; for 2h; Temperature;85.3%
2565-47-1

1-methyl-2,4,6-pyrimidinetrione

4318-56-3

3-methyl-6-chlorouracil

Conditions
ConditionsYield
With water; trichlorophosphate at 80℃; for 4h;81%
With water; trichlorophosphate at 80℃; for 2h;80%
With trichlorophosphate at 0 - 80℃;71.6%
882872-13-1

6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione

4318-56-3

3-methyl-6-chlorouracil

Conditions
ConditionsYield
With trichlorophosphate In acetonitrile at 120℃; for 0.333333h; Microwave irradiation;80%
141-82-2

malonic acid

598-50-5

N-Methylurea

4318-56-3

3-methyl-6-chlorouracil

Conditions
ConditionsYield
Stage #1: malonic acid; N-Methylurea With acetic anhydride; acetic acid
Stage #2: With trichlorophosphate
616-47-7

1-methyl-1H-imidazole

4318-56-3

3-methyl-6-chlorouracil

3-methyl-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-6-yl)imidazolium chloride

Conditions
ConditionsYield
In chlorobenzene for 7h; Heating;100%
4318-56-3

3-methyl-6-chlorouracil

123506-41-2

6-hydrazinyl-3-methylpyrimidine-2,4(1H,3H)-dione

Conditions
ConditionsYield
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%
4318-56-3

3-methyl-6-chlorouracil

421552-12-7

2-(bromomethyl)-4-fluorobenzonitrile

865759-24-6

2-[(6-chloro-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-4-fluorobenzonitrile

Conditions
ConditionsYield
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%
99-98-9

4-amino-N,N-dimethylaniline

4318-56-3

3-methyl-6-chlorouracil

83983-31-7

6-(4-Dimethylamino-anilino)-3-methyl-2,4(1H,3H)-pyrimidindion

Conditions
ConditionsYield
With sodium hydroxide for 0.5h;98%
Heating;92%
4318-56-3

3-methyl-6-chlorouracil

140-75-0

para-fluorobenzylamine

6-(4-fluoro-benzylamino)-3-methyl-1H-pyrimidine-2,4-dione

Conditions
ConditionsYield
In butan-1-ol for 3h; Substitution; Heating;97%
4318-56-3

3-methyl-6-chlorouracil

22115-41-9

2-(bromomethyl)benzonitrile

865758-96-9

2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile

Conditions
ConditionsYield
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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    6-Chloro-3-methyluracil CAS No.:4318-56-3 Name: 6-Chloro-3-methyluracil Synonyms: 3-Methyl-6-chlorouracil Molecular Structure Molecular Formula: C5H5ClN2O2 Molecular Weight: 16

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    Chemical Name 6-Chloro-3-methyluracil Synonyms 3-Methyl-6-chlorouracil CAS No. 4318-56-3 Molecular formula C5H5ClN2O2 Molecul

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    Product Name: 6-Chloro-3-methyluracil CAS: 4318-56-3 MF: C5H5ClN2O2 MW: 160.56 EINECS: 610-113-2 Mol File: 4318-56-3.mol 6-Chloro-3-methyluracil Structure 6-Chloro-3-methyluracil Chemical Properties Melting point 278-280°C

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Chemistry

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

Safety Profile

Hazard Codes: IrritantXi
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

Specification

 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 .