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CAS No.: | 1558-17-4 |
---|---|
Name: | 4,6-DIMETHYLPYRIMIDINE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C6H8N2 |
Molecular Weight: | 108.143 |
Synonyms: | NSC 60686; |
EINECS: | 216-314-8 |
Density: | 0.98 g/cm3 |
Melting Point: | 25°C |
Boiling Point: | 154 °C at 760 mmHg |
Flash Point: | 56 °C |
Solubility: | Soluble in water at 20°C. |
Appearance: | clear yellowish liquid after melting |
Hazard Symbols: | R10:; |
Risk Codes: | 10 |
Safety: | 23-24/25 |
Transport Information: | UN 1993 3/PG 3 |
PSA: | 25.78000 |
LogP: | 1.09340 |
Conditions | Yield |
---|---|
under 1 - 1.5 Torr; for 0.0833333h; Irradiation; | A 72% B 26% |
N-Benzyl-4,6-dimethylpyrimidinium bromide
4,6-dimethylpyrimidine
Conditions | Yield |
---|---|
With ammonia at -33℃; for 2h; Product distribution; Mechanism; | 65% |
N-(p-nitrophenyl)-4,6-dimethylpyrimidinium bromide
A
4,6-dimethylpyrimidine
B
p-nitrobenzylamine
Conditions | Yield |
---|---|
With ammonia at -33℃; for 2h; Product distribution; Mechanism; | A 65% B 37% |
Conditions | Yield |
---|---|
under 1 - 1.5 Torr; for 0.0833333h; Irradiation; | A 62% B 31% |
Conditions | Yield |
---|---|
With water; zinc | |
With palladium on activated charcoal; sodium acetate; acetic acid Hydrogenation; | |
With palladium on activated charcoal; ethanol; sodium acetate under 5148.6 Torr; Hydrogenation; | |
Multi-step reaction with 2 steps 1: N2H4 * H2O 2: aqueous CuSO4 View Scheme |
methanol
4,6-dimethyl-2-pyrimidinecarbonitrile
A
4,6-dimethylpyrimidine
B
methyl 4,6-dimethylpyrimidine-2-carboxylate
Conditions | Yield |
---|---|
With hydrogenchloride; water |
4,6-dimethyl-2-pyrimidinecarboxylic acid
4,6-dimethylpyrimidine
Conditions | Yield |
---|---|
Destillieren; |
2-hydrazino-4,6-dimethylpyrimidine
4,6-dimethylpyrimidine
Conditions | Yield |
---|---|
With copper(II) sulfate |
4,6-dimethylpyrimidine-2(1H)-thione hydrochloride
4,6-dimethylpyrimidine
Conditions | Yield |
---|---|
With hydrogenchloride; nickel |
Conditions | Yield |
---|---|
With water at 180 - 190℃; | |
at 220 - 240℃; |
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The Pyrimidine,4,6-dimethyl-, with the CAS registry number 1558-17-4, is also known as NSC60686. It belongs to the product categories of Pyrimidine; Pyridines, Pyrimidines, Purines and Pteredines; Building Blocks; Heterocyclic Building Blocks; Pyrimidines. Its EINECS registry number is 216-314-8. This chemical's molecular formula is C6H8N2 and molecular weight is 108.14. Its IUPAC name is called 4,6-dimethylpyrimidine.
Physical properties of Pyrimidine,4,6-dimethyl-: (1)ACD/LogP: 0.59; (2)ACD/LogD (pH 5.5): 0.59; (3)ACD/LogD (pH 7.4): 0.59; (4)ACD/BCF (pH 5.5): 1.64; (5)ACD/BCF (pH 7.4): 1.64; (6)ACD/KOC (pH 5.5): 49.51; (7)ACD/KOC (pH 7.4): 49.68; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.503; (10)Molar Refractivity: 32.08 cm3; (11)Molar Volume: 108.4 cm3; (12)Surface Tension: 38.9 dyne/cm; (13)Density: 0.997 g/cm3; (14)Flash Point: 56 °C; (15)Enthalpy of Vaporization: 37.47 kJ/mol; (16)Boiling Point: 154 °C at 760 mmHg; (17)Vapour Pressure: 4.17 mmHg at 25°C.
Preparation of Pyrimidine,4,6-dimethyl-: this chemical can be prepared by N-Benzyl-4,6-dimethylpyrimidinium bromide. This reaction will need reagent NH3(l). The reaction time is 2 hours with reaction temperature of -33 °C. The yield is about 65%.
Uses of Pyrimidine,4,6-dimethyl-: it can be used to produce (6-methyl-pyrimidin-4-yl)-pyruvic acid ethyl ester. This reaction will need reagents potassium ethylate and diethyl ether.
When you are using this chemical, please be cautious about it. It is flammable. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). What's more, you must avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=NC=N1)C
(2)InChI: InChI=1S/C6H8N2/c1-5-3-6(2)8-4-7-5/h3-4H,1-2H3
(3)InChIKey: LSBIUXKNVUBKRI-UHFFFAOYSA-N