4-PIPERIDIN-1-YL-BENZOIC ACID Chemical Properties

Melting point:

222-224 °C(Solv: benzene (71-43-2))

Boiling point:

388.9±25.0 °C(Predicted)

Density 

1.178±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

form 

solid

pka

3.65±0.10(Predicted)

color 

Pink

CAS DataBase Reference

22090-24-0(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36

Safety Statements 

26

Hazard Note 

Harmful

HazardClass 

IRRITANT

HS Code 

2933399990

4-PIPERIDIN-1-YL-BENZOIC ACID Usage And Synthesis

Definition

ChEBI: 4-Piperidinobenzoic acid is a member of piperidines.

Synthesis

Example 113 Steps for the synthesis of 10-(4-piperidin-1-ylbenzoyl)-N-(pyridin-3-ylmethyl)-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazine-3-carboxamide A. Preparation of 4-piperidin-1-ylbenzylcarbonitrile: Under nitrogen protection, 4-fluorobenzylcarbonitrile (1 g, 8.26 mmol), piperidine (0.90 mL, 9.08 mmol), piperidine (0.90 mL, 9.08 mmol) and anhydrous potassium carbonate (2.28 g, 16.51 mmol) were dissolved in anhydrous 1-methyl-2-pyrrolidinone (10 mL), and the reaction was stirred for 20 h at 120°C. The reaction was carried out under nitrogen protection. After completion of the reaction, the mixture was cooled to room temperature, diluted with water (100 mL) and extracted with ethyl acetate (100 mL). The organic phases were combined, washed sequentially with water (100 mL) and saturated saline (100 mL), dried over anhydrous magnesium sulfate, and concentrated under reduced pressure to give an orange oily crude product. It was purified by fast column chromatography using a gradient elution of hexane with ethyl acetate (1% to 7%) to give the orange oily product, which was further crystallized from hexane to give 4-(1-piperidinyl)benzonitrile (1.41 g, 92% yield) as an orange crystalline solid with a melting point of 54°C. Mass spectrum ((+)ESI, m/z): 187 [M+H]+. Elemental analysis (C12H14N2) Calculated values: C, 77.38; H, 7.58; N, 15.04. Measured values: C, 77.30; H, 7.41; N, 15.06.

References

[1] Patent: US2006/287522, 2006, A1. Location in patent: Page/Page column 54
[2] Journal of the American Chemical Society, 1940, vol. 62, p. 2995,3001
[3] Molecular Crystals and Liquid Crystals (1969-1991), 1985, vol. 124, p. 269 - 276

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