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5-Methylpyrimidine

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Name

5-Methylpyrimidine

EINECS 218-006-9
CAS No. 2036-41-1 Density 1.021 g/cm3
PSA 25.78000 LogP 0.78500
Solubility N/A Melting Point 29-31°C
Formula C5H6N2 Boiling Point 153 °C at 760 mmHg
Molecular Weight 94.116 Flash Point 43.256 °C
Transport Information UN 1325 Appearance crystalline solid
Safety 26-36 Risk Codes 10-36/37/38-22-11
Molecular Structure Molecular Structure of 2036-41-1 (5-METHYLPYRIMIDINE) Hazard Symbols FlammableF, IrritantXi, HarmfulXn
Synonyms

5-Methyl-1,3-diazine;

Article Data 21

5-Methylpyrimidine Synthetic route

4595-59-9

5-bromopyrimidine

bis(μ-[2-(dimethylamino)ethanolato-N,O:O]tetramethyldiindium

bis(μ-[2-(dimethylamino)ethanolato-N,O:O]tetramethyldiindium

2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
bis-triphenylphosphine-palladium(II) chloride In benzene at 80℃; for 24h;95%

3-amino-3-methylpropenal

2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
With piperdinium acetate at 125℃;88%
321724-19-0

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

74-88-4

methyl iodide

2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
With C21H30ClNPPd; potassium tert-butylate In tert-Amyl alcohol at 65℃; for 18h; Sealed tube; Inert atmosphere; Glovebox;82%
76473-27-3

5-methylpyrimidine 1-ethoxycarbonylimide

A

2036-41-1

5-methylpyrimidine

B

60148-15-4

1-ethoxycarbonyl-4-methylpyrazole

Conditions
ConditionsYield
In benzene for 3h; Irradiation;A 13%
B 42%
1780-31-0

2,6-dichloro-5-methylpyrimidine

2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
With sodium hydroxide; palladium on activated charcoal; diethyl ether Hydrogenation;

5-methyl-pyrimidine-4-carboxylic acid

2036-41-1

5-methylpyrimidine

4316-97-6

4,6-dichloro-5-methylpyrimidine

2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
With methanol; palladium on activated charcoal; magnesium oxide Hydrogenation;
1780-36-5

5-methyl-2,4,6-trichloropyrimidine

2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
With methanol; palladium on activated charcoal; magnesium oxide Hydrogenation;
1780-36-5

5-methyl-2,4,6-trichloropyrimidine

A

2036-41-1

5-methylpyrimidine

B

22536-61-4

2-chloro-5-methylpyrimidine

Conditions
ConditionsYield
With water; zinc
51957-32-5

4-chloro-5-methyl-pyrimidine

2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
With palladium-barium carbonate; ammonia Hydrogenation;

5-Methylpyrimidine Specification

The 5-Methylpyrimidine, with the CAS registry number 2036-41-1, is also known as . It belongs to the product categories of Pyrimidine; APIs & Intermediate; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides; Building Blocks; Heterocyclic Building Blocks; Pyrimidines. Its EINECS registry number is 218-006-9. This chemical's molecular formula is C5H6N2 and molecular weight is 94.11. Its IUPAC name is called 5-methylpyrimidine. This chemical is crystalline solid. You should keep container tightly sealed and store in a cool, dry place. Besides, you should ensure that workplaces have good ventilation or exhaust.

Physical properties of 5-Methylpyrimidine: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.115; (8)ACD/KOC (pH 7.4): 24.123; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.503; (13)Molar Refractivity: 27.26 cm3; (14)Molar Volume: 92.156 cm3; (15)Surface Tension: 41.014 dyne/cm; (16)Density: 1.021 g/cm3; (17)Flash Point: 43.256 °C; (18)Enthalpy of Vaporization: 37.375 kJ/mol; (19)Boiling Point: 152.999 °C at 760 mmHg; (20)Vapour Pressure: 4.359 mmHg at 25°C.

Uses of 5-Methylpyrimidine: it can be used to produce 5-methyl-pyrimidine 1-oξde. It will need reagent aqueous H2O2, acetic acid.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may catch fire in contact with air which only need brief contact with an ignition source and has a very low flash point or evolve highly flammable gases in contact with water. Besides, it may cause damage to health and may cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CN=CN=C1
(2)InChI: InChI=1S/C5H6N2/c1-5-2-6-4-7-3-5/h2-4H,1H3
(3)InChIKey: TWGNOYAGHYUFFR-UHFFFAOYSA-N

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