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66521-65-1

66521-65-1 Structure

66521-65-1 Structure
IdentificationBack Directory
[Name]

4-(2-PYRIDINYL)-2-PYRIMIDINAMINE
[CAS]

66521-65-1
[Synonyms]

BUTTPARK 41\09-82
Nilotinib Impurity 9(N-Oxide)
Nilotinib 2-Pyridinyl Impurity
2-Amino-4-(2-pyridyl)pyrimidine
4-(2-PYRIDINYL)-2-PYRIMIDINAMINE
4-(PYRIDIN-2-YL)PYRIMIDIN-2-AMINE
2-Pyrimidinamine, 4-(2-pyridinyl)-
4-(2-pyridinyl)-2-pyrimidinylamine
2-amino-4-(2-pyridinyl)-pyrimidine
4-(2-pyridinyl)-2-pyrimidinamine (en)
4-(2-PYRIDINYL)-2-PYRIMIDINAMINE ISO 9001:2015 REACH
[EINECS(EC#)]

604-604-1
[Molecular Formula]

C9H8N4
[MDL Number]

MFCD00138711
[MOL File]

66521-65-1.mol
[Molecular Weight]

172.19
Chemical PropertiesBack Directory
[Melting point ]

137-139°C
[Boiling point ]

426.5±37.0 °C(Predicted)
[density ]

1.259±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

3.34±0.10(Predicted)
[color ]

Off-White to Pale Yellow
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[HazardClass ]

IRRITANT
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

Intermediate in the preparation of Nilotinib.
[Preparation]

Synthesis of 4-(pyridine-2-yl) pyrimidin-2-amine (P2P). (0.5 g, 2.84 mmol) of (Z)-3- dimethylamino-1-(pyridine-2-yl)prop-2-en-1-one was suspended was suspended in 15ml of nbutanol. To the solution (0.346 g, 2.84 mmol) of guanidine nitrate added and followed by the addition of NaOH(0.114 g, 2.84 mmol) and reflux this mixture at 110℃ for 12h. After completion of the reaction the mixture was filtered, the clear yellow solution of filtrate kept for room temperature. After 20 min yellow crystal formed and dried in a vacuum under reduced pressure. Yield (0.296 g, 60%) IR (KBr): 3471, 3142, 1622, 1568, 1463, 1340, 1215, 1095, 993, 783, 650, 524.1H NMR (300 MHz, CDCl3) δ 8.69 (dd, J = 11.9, 10.0 Hz, 1H), 8.45 (dd, J = 5.1, 2.6 Hz, 1H), 8.40 – 8.20 (m, 1H), 7.85 (ddd, J = 17.9, 9.4, 7.3 Hz, 1H), 7.64 (dd, J = 5.1, 2.8 Hz, 1H), 7.53 – 7.30 (m, 1H), 5.30 (s, 2H). 13C NMR (75 MHz, CDCl3) δ 164.49 (s), 163.75 (s), 159.65 (s), 154.75 (s), 149.79 (s), 137.29 (s), 125.41 (s), 121.87 (s), 108.26 (s).
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