5-Bromo-2-methoxypyrimidine
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5-Bromo-2-methoxypyrimidine
structure -
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CAS No:
14001-66-2
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Formula:
C5H5BrN2O
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Chemical Name:
5-Bromo-2-methoxypyrimidine
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Synonyms:
5-BROMO-2-METHOXYPYRIMIDINE97;Bromomethoxypyrimidine;2-Methoxy-5-bromopyrimidine;5-Bromo-2-methoxypyrimidine;5-Bromo-2-methoxy-1,3-diazine;5-Bromo-2-methoxypyrimidine 98%;2-Methoxy-5-broMopyriMidine(5-BroMo-2-MethoxypyriMidine);5-Bromo-22-methoxypyrimidine
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CAS No:
5-Bromo-2-methoxypyrimidine Basic Attributes
189.01
187.958511
1312995-182-4
DTXSID10161212
29333990
Characteristics
35
1.2
White to yellow (may have pinkish tinge) Solid
1.628±0.06 g/cm3(Predicted)
55.5-59.5 °C(lit.)
259.8±32.0 °C(Predicted)
110.9±25.1 °C
1.547
0.0205mmHg at 25°C
Safety Information
NONH for all modes of transport
3
22-43
37/39
Xn,Xi
Irritant
P280
H302-H317
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Bromo-2-methoxypyrimidine Use and Manufacturing
Synthesis of Compound 11-3 (0400) To a solution of 11-2 (2.0 g, 10 mmol) in methanol (15 mL) was added CHTo a solution of 24-2 (2.0 g, 10 mmol) in methanol (15 ml) was added CHIntermediate B13-Ethyl 3-(2-methoxypyrimidin-5-yl)acrylate A mixture of General procedure: A G10 microwave vial equipped with a stir-bar was charged with compound 5-bromo-2-substituted pyrimidine (0.3 mmol), amino compound (0.33 mmol), Pd2dba3 (2 mol%), XPhos (8 mol%), NaOtBu (0.42 mmol) and anhydrous 1, 4-dioxane (2 ml). The reaction vial was purged with argon, and heated by microwave irradiation until its temperature was 120 C. Then, the irradiation was automatically controlled to keep the mixture at this temperature for 1h. The reaction mixture was concentrated under reduced pressure and the crude residue was purified by flash chromatography on silica gel. The purified material was dried in vacuo to afford the corresponding products.Under Ar(g), to a mixture of pyrazin-2-amine (1) (209mg, 2.2mmol), 5- bromo-2-methoxypyrimidine (2) (378mg, 2.0mmol), Cs2C03 (1.30g, 4.0mmol) was added degassed dry 1 , 4-dioxane (13ml_). The reaction mixture was then flushed with Ar(g) for 1 min before Pd2(dba)3 (92mg, 0.1 mmol) and Xantphos (127mg, 0.22mmol) were added. The reaction mixture was heated up to 90C for 40h. It was then cooled down to rt and concentrated in vacuo, CH2CI2 (15ml_) and H20 (15mL) were added. The organic phase was separated and the water layer was extracted with EtOAc (15ml_). The organic layers were combined and Pd-scavenger (MP-TMT, ~400mg, 1.3mmol/g) was added. This was shaken for several hours followed by filtration. The filtrate was concentrated in vacuo, dissolved in DMSO (4ml_) and purified by basic prep LCMS to yield (3) as a solid (18mg, 4%).
Computed Properties
Molecular Weight:189.01
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:187.95853
Monoisotopic Mass:187.95853
Topological Polar Surface Area:35
Heavy Atom Count:9
Complexity:83
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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