N-(3-CHLOROPROPYL)PIPERIDINE HYDROCHLORIDE Chemical Properties

Melting point:

219-223 °C(lit.)

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

Water Solubility 

Soluble in water

form 

Powder or Crystalline Powder

color 

White to yellow

InChI

InChI=1S/C8H16ClN.ClH/c9-5-4-8-10-6-2-1-3-7-10;/h1-8H2;1H

InChIKey

OBOBUDMMFXRNDO-UHFFFAOYSA-N

SMILES

N1(CCCCl)CCCCC1.Cl

CAS DataBase Reference

5472-49-1

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

RTECS 

TM6498600

HS Code 

29333990

MSDS

• Language:English Provider:SigmaAldrich

N-(3-CHLOROPROPYL)PIPERIDINE HYDROCHLORIDE Usage And Synthesis

Uses

1-(3-Chloropropyl)piperidine Hydrochloride is used in preparation of Triazolotriazine derivatives as A2A receptor antagonists.

Synthesis

Hexahydropyridine (piperidine, 0.45 g, 5.3 mmol) and 1-bromo-3-chloropropane (5.2 g, 33 mmol) were dissolved in toluene (17.5 mL) and then tetra-n-ammonium hydrogensulfate (ammonium hydrogensulfate, 0.51 g, 1.5 mmol) and 25% aqueous sodium hydroxide solution (10 mL) were added. The reaction mixture was stirred at 40 °C for 3 hours. After completion of the reaction, the mixture was cooled to room temperature, the toluene layer was separated, washed with saturated aqueous sodium chloride solution and dried over anhydrous sodium sulfate. After removal of sodium sulfate by filtration, hydrochloric acid/methanol solution (2 mL) was added to the filtrate and the mixture was subsequently concentrated. The resulting crude product was purified by recrystallization from methanol/ether to give N-(3-chloropropyl)piperidine hydrochloride (0.96 g, 91% yield) as white crystals.

References

[1] Patent: US6642228, 2003, B1. Location in patent: Page/Page column 76-77

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