4,6-Dichloro-2-methylpyrimidine
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4,6-Dichloro-2-methylpyrimidine
structure -
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CAS No:
1780-26-3
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Formula:
C5H4Cl2N2
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Chemical Name:
4,6-Dichloro-2-methylpyrimidine
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Synonyms:
Pyrimidine,4,6-dichloro-2-methyl-;4,6-Dichloro-2-methylpyrimidine;2-Methyl-4,6-dichloropyrimidine;NSC 35923
- Categories:
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CAS No:
4,6-Dichloro-2-methylpyrimidine Basic Attributes
163
163.00
1806241-263-5
35923
DTXSID80284149
29335990
Characteristics
25.8
2.5
White to off-white Crystalline Powder or Crystals
1.404±0.06 g/cm3(Predicted)
162-163 °C
210.8±20.0 °C(Predicted)
208 °F
1.551
0.273mmHg at 25°C
Safety Information
III
8
UN 3261 8/PG 2
3
34-51/53-43-22
26-36/37/39-45-61-36/37
C,N,Xn
P273-P280
H302-H317-H411
|Danger|H302 (82.69%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P272, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P391, P405, and P501|Aggregated GHS information provided by 52 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4,6-Dichloro-2-methylpyrimidine Use and Manufacturing
4, 6-dihydroxy-2-methylpyrimidine (5.0 g, 0.04 mol) was added to a mixed solution of thionyl chloride (18.9 g, 0.16 mol) and acetonitrile, The reaction was stirred at 80 ° C for 3 hours, and the plate was confirmed to disappear. The excess thiophenolate was distilled off under reduced pressure and the residue was poured into 50 g of ice water. The precipitated solid was filtered and purified by column chromatography to give 6.1 g (yield: 94percent) of solid.A mixture of 4, 6-dihydroxy-2-methylpyrimidine (15 g, 120 mmol) and phosphorus oxychloride (150 ml) were heated at reflux overnight. After allowing to cool the reaction mixture was concentrated TO-30 ml and then poured onto ice. The reaction mixture was extracted with ethyl acetate (3 x 75 ml). The organic extracts were combined, washed with base, brine, dried over magnesium sulfate, filtered and evaporated to give the title compound (13.4 g, 69percent).Step 1
Moxonidine intermediate
Computed Properties
Molecular Weight:163.00
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Exact Mass:161.9751535
Monoisotopic Mass:161.9751535
Topological Polar Surface Area:25.8
Heavy Atom Count:9
Complexity:89
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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