6-Methoxy-4-pyrimidinamine
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6-Methoxy-4-pyrimidinamine
structure -
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CAS No:
696-45-7
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Formula:
C5H7N3O
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Chemical Name:
6-Methoxy-4-pyrimidinamine
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Synonyms:
4-Pyrimidinamine,6-methoxy-;Pyrimidine,4-amino-6-methoxy-;6-Methoxy-4-pyrimidinamine;4-Amino-6-methoxypyrimidine;6-Methoxy-4-aminopyrimidine
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CAS No:
Characteristics
61
0.2
White to yellow Crystalline Powder
1.2±0.1 g/cm3
150-151 °C
290.8°C at 760 mmHg
129.7±21.8 °C
1.567
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38-21/22-6/37/38
26-36-36/37/39
Xi,Xn
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
6-Methoxy-4-pyrimidinamine Use and Manufacturing
To the mixture of 5-nitro-furan-2-carbonyl chloride (667 mg, 3. 8 MMOL) in CH2CI2 (5 ML) was added 4-amino 6-methoxy pyrimidine (475 mg, 3. 8 MMOL) followed by pyridine (5 ML) and reaction was stirred for 14 hr. at 50°C. The reaction was followed as explained in method 2 to yield 550 mg (40percent) of compound 51. TLC: Rf 0. 53 (1: 1 hexane: ethyl acetate).'HNMR (500 MHz, CDCI3) : No.4. 04 (3H, s), 7.44 (2H, q, J = 4.04, 8. 06 Hz), 7.65 (1 H, d, J = 0.97 Hz), 8.58 (1H, d, J = 0. 98 Hz), 8.85 (1H, s); CNMR (300 MHZ, CDCIG) : 53.77, 95.60, 111.79, 117.34, 145.98, 154.13, 156.21, 170.80 ; EI-Mass : 263 (M+-1) ; IR : 1576, 1684, 3123 cm-1.Under Ar(g), to a mixture of 2-chloropyrazine (1) (252mg, 2.2mmol), 4- amino-6-methoxypyrimidine (2) (250mg, 2.0mmol), Cs2C03 (1.3g, 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. EtOAc (15ml_), H20 (10mL) and brine (5mL) were added to the reaction mixture. The organic phase was separated and the aqueous phase 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 (177mg, 44%). (0636) LCMS (ES): Found 204.2 [M+Hf.
Sulfa-6-methoxypyrimidine intermediate.
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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Business licensed Certified factoryManufactory Supplier of Active Pharm Ingredients,Chemical Catalyst,Pharmaceutical Intermediates,Flavors and Fragrances,Agrochemicals,Chemical Pesticides,Organic Intermediates,OLED IntermediatesInquiryCAS No.: 696-45-7Grade: Pharmaceutical GradeContent: 99%
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