4-(3-Pyridinyl)-2-aminopyrimidine
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4-(3-Pyridinyl)-2-aminopyrimidine
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CAS No:
66521-66-2
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Formula:
C9H8N4
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Chemical Name:
4-(3-Pyridinyl)-2-aminopyrimidine
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Synonyms:
BUTTPARK 41\09-83;4-(3-PYRIDINYL)-2-PYRIMIDINAMINE;4-(3-PYRIDINYL)-2-PYRIMIDINE AMINE;4-(3-PYRIDINYL)-2-PYRIMIDINYLAMINE;4-(PYRIDIN-3-YL)PYRIMIDIN-2-AMINE;4-(3-Pyridyl)-2-pyrimidinamine;4-(3-Pyridinyl)-2-aminopyrimidine;4-(3-Pyridyl)-2-pyrimidineamine
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CAS No:
4-(3-Pyridinyl)-2-aminopyrimidine Basic Attributes
172.19
172.074890
1312995-182-4
DTXSID00498802
2933990090
Safety Information
25-20/21/22
45-36/37
T
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
4-(3-Pyridinyl)-2-aminopyrimidine Use and Manufacturing
3-(Dimethylamino)-1-(pyridine-3-yl) prop-2-en-1-one (15.4 g, 0.088 mol), guanidine nitrate (10.7 g, 0.088 mol), and sodium hydroxide (3.5 g, 0.088 mol) were dissolved in n-butanol (120 mL). The obtained compound 3 followed by 3-(dimethylamino)-1-(pyridin-3-yl) prop-2-en-1-one (0.1 mol), guanidine nitrate(0.1 mol), sodium hydroxide (0.1 mol), and n-butanol (12.5 mL) was irradiated in the microwave synthesizer at 90 C for 20 min. Aftercompletion of the reaction mixture poured into ice-cold water andthe resulting solid was filtered and washed with water. The obtainedsolid of compound 4 (1.18 g) was dried under vacuum.Melting point 190-192 °C, ES-MS (M1) found (m/z): 173.1.Preparation of 4-pyridin-3-yl-pyrimidin-2-ylamine lll-b In a sealed tube, a solution of lll-a (1 .18 g, 6.16 mmol) in 30percent NHNaOH (0.78 g, 19.5 mmol) was added to a mixture of 3-(dimethylamino)-l-(pyridin-3- yl)prop-2-en-l-one (3.52 g, 20.0 mmol) and guanidine carbonate (1.80 g) in n-butanol (20 mL). The mixture was heated at 120 Pd(OAc)General procedure: A mixture of compound 5 (1 mmol), guanidine nitrate (2 mmol), anhydrous K2CO3 (5 mmol) in n-butanol (10 ml) was refluxed for 12 h. After cooling, the solution was poured into H2O (30 ml) and then extracted with ethyl acetate (3x20 ml). The combined organic layer was concentrated in vacuo and then purified by recrystallisation with diethyl ether.General procedure: Amixture of methyl 4-formylbenzoate (1) (1.1 equivalents) and amine R1NH2 (a-d) (1.0 equivalent)was dissolved in dry CHCl3. Sodium triacetoxyborohydride (2.8 equivalents) and AcOH (sixequivalents) were added to this solution, and the resulting solution was stirred at room temperaturefor 2±3 h. The reaction mixture was quenched with an ice-cold saturated solution of NaHCO3 (topH 7), and extracted with CHCl3. The combined organic layers were dried over Na2SO4, filtered, and concentrated under vacuum. The residue was dissolved in ethyl acetate, and the product was precipitated with hexane. The solid was ltered and washed with ethyl acetate/hexane.
Intermediate in the preparation of Nilotinib.
Computed Properties
Molecular Weight:172.19
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:172.074896272
Monoisotopic Mass:172.074896272
Topological Polar Surface Area:64.7
Heavy Atom Count:13
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(3-Pyridinyl)-2-aminopyrimidine
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