5-Methoxy-4-pyrimidinamine
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5-Methoxy-4-pyrimidinamine
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CAS No:
695-86-3
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Formula:
C5H7N3O
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Chemical Name:
5-Methoxy-4-pyrimidinamine
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Synonyms:
4-Pyrimidinamine,5-methoxy-;Pyrimidine,4-amino-5-methoxy-;5-Methoxy-4-pyrimidinamine
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
5-Methoxy-4-pyrimidinamine Use and Manufacturing
A suspension of 4-chloro-5-methoxypyrimidine (I-89) (40 g, 280 mmol) in NH3 (g)/EtOH (4 M, 2000 mL) was poured into an autoclave at room temperature and stirred at 130 °C for 12 hr. TLC (CH2CI2/MeOH = 10:1 ) showed the reaction was complete. The mixture was cooled to room temperature and concentrated in vacuo to give a residue, to which was added CH2CI2 (100 mL) and the resulting mixture was stirred at room temperature for 30 min. The resulting suspension was filtered to remove NH4CI salt, and the filtrate was concentrated in vacuo to give the crude product. The crude product was stirred in a mixed solvent of EtOAc/CH2CI2 (50 mL, 4:1 ) for 30 min, filtered and concentrated in vacuo to obtain 4-amino-5-methoxypyrimidine (I-90) (30 g, 87percent) as a yellow solid. 1H NMR (400 MHz, DMSO-c/6) 8 ppm 8.01 (s, 1 H), 7.81 (s, 1 H), 6.75 (br. s., 2 H), 3.81 (s, 3 H).
Computed Properties
Molecular Weight:125.13
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:125.058911855
Monoisotopic Mass:125.058911855
Topological Polar Surface Area:61
Heavy Atom Count:9
Complexity:88.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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