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726185-54-2

726185-54-2 Structure

726185-54-2 Structure
IdentificationBack Directory
[Name]

3-PIPERIDIN-4-YL-BENZOIC ACID METHYL ESTER HCL
[CAS]

726185-54-2
[Synonyms]

Methyl 3-(4-Piperidyl)benzoate Hydrochloride
3-PIPERIDIN-4-YL-BENZOIC ACID METHYL ESTER HCL
METHYL 3-(PIPERIDIN-4-YL)BENZOATE HYDROCHLORIDE
4-(3-METHOXYCARBONYLPHENYL) PIPERIDINE HYDROCHLORIDE
Benzoic acid, 3-(4-piperidinyl)-, methyl ester, hydrochloride
[Molecular Formula]

C13H18ClNO2
[MDL Number]

MFCD02179142
[MOL File]

726185-54-2.mol
[Molecular Weight]

255.74
Chemical PropertiesBack Directory
[storage temp. ]

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

White to off-white Solid
Spectrum DetailBack Directory
[Spectrum Detail]

3-PIPERIDIN-4-YL-BENZOIC ACID METHYL ESTER HCL(726185-54-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methanol

67-56-1

Benzoic acid, 3-(4-piperidinyl)-, hydrochloride

726185-55-3

3-PIPERIDIN-4-YL-BENZOIC ACID METHYL ESTER HCL

726185-54-2

General procedure for the synthesis of methyl 3-(piperidin-4-yl)benzoate hydrochloride from methanol and the compound (CAS: 726185-55-3): 500 mg (2.069 mmol) of 3-(4-piperidinyl)benzoate hydrochloride was mixed with 10 mL of saturated HCl methanol solution and the reaction was stirred at room temperature overnight. After completion of the reaction, the reaction mixture was concentrated by distillation under reduced pressure. The concentrated residue was mixed with 3 mL of isopropanol and stirred, followed by filtration. The filter cake was washed with ether and dried at 60 °C in a recirculating air dryer. A final 390 mg (74% yield) of colorless crystalline product was obtained, and thin layer chromatography (TLC) showed an Rf value of 0.34 (unfolding agent: EI D). Infrared spectra (IR, KBr press method) of the product showed a characteristic absorption peak of carbonyl (C=O) at 1728 cm-1 . Electrospray ionization mass spectrometry (ESI-MS) analysis showed a molecular ion peak (M+H)+ of 220, as well as peaks of (M+Cl+HCl) of 290/292/294 (corresponding to Cl2 isotope pattern).

[References]

[1] Patent: US2004/192729, 2004, A1. Location in patent: Page 32
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