1-PYRIMIDIN-2-YL-PIPERIDIN-4-OL Chemical Properties

Boiling point:

365.5±52.0 °C(Predicted)

Density 

1.234±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

pka

14.56±0.20(Predicted)

Appearance

White to off-white Solid

InChI

InChI=1S/C9H13N3O/c13-8-2-6-12(7-3-8)9-10-4-1-5-11-9/h1,4-5,8,13H,2-3,6-7H2

InChIKey

ZATIGSFNFLXZAS-UHFFFAOYSA-N

SMILES

N1(C2=NC=CC=N2)CCC(O)CC1

Safety Information

HS Code 

2933599590

1-PYRIMIDIN-2-YL-PIPERIDIN-4-OL Usage And Synthesis

Synthesis

Step 1: Synthesis of 1-(2-pyrimidinyl)-4-piperidinol (180) 4-Hydroxypiperidine (1.5 g, 14.7 mmol), 2-chloropyrimidine (1.5 g, 13.4 mmol) and diisopropylethylamine (6 mL, 33.5 mmol) were dissolved in 50 mL of acetonitrile. The reaction mixture was heated and stirred at 80 °C for 18 hours. After completion of the reaction, the mixture was concentrated to dryness under reduced pressure. The crude product was purified by fast column chromatography using a 0-60% ethyl acetate/hexane gradient elution to afford 2.1 g (81% yield) of target compound 180 as a white solid. 1H NMR (400 MHz, CDCl3): δ 8.28 (d, J = 4.6 Hz, 2H), 6.49 (t, J = 4.8 Hz, 1H), 4.49-4.33 (m, 2H), 4.01-3.88 (m, 1H), 3.37-3.21 (m, 2H), 2.02-1.90 (m, 2H), 1.60- 1.45 (m, 2H); LCMS (ESI): m/z 180 [M + H]+.

References

[1] Patent: WO2008/8895, 2008, A1. Location in patent: Page/Page column 155; 156
[2] Journal of Medicinal Chemistry, 2012, vol. 55, # 24, p. 10972 - 10994

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