ChemicalBook--->CAS DataBase List--->408309-29-5

408309-29-5

408309-29-5 Structure

408309-29-5 Structure
IdentificationBack Directory
[Name]

3-(1H-Pyrrol-2-yl)propanoic acid
[CAS]

408309-29-5
[Synonyms]

CEP03
CEP-03
CEP 03
1H-Pyrrole-2-propanoic acid
[Molecular Formula]

C7H9NO2
[MDL Number]

MFCD08234482
[MOL File]

408309-29-5.mol
[Molecular Weight]

139.15
Chemical PropertiesBack Directory
[Melting point ]

85-86 °C
[Boiling point ]

130-135 °C(Press: 0.5 Torr)
[density ]

1.245±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.51±0.10(Predicted)
[Appearance]

Yellow to brown Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

3-(1H-Pyrrol-2-yl)propanoic acid(408309-29-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

1H-Pyrrole-2-propanoic acid,ethyl ester

55490-37-4

3-(1H-Pyrrol-2-yl)propanoic acid

408309-29-5

General procedure for the synthesis of 3-(1H-pyrrol-2-yl)propionic acid from ethyl 3-(1H-pyrrol-2-yl)propionate: sodium hydroxide (3.8 g, 95.00 mmol) was added batchwise to ethyl 3-(1H-pyrrol-2-yl)propionate (8 g, 47.85 mmol) in a mixed solution of ethanol/water (80 mL/40 mL) at 0-5 °C. . The reaction temperature was maintained at 0 °C and the resulting reaction mixture was stirred at room temperature for 5 h. The reaction process was monitored by LCMS. After completion of the reaction, the reaction solution was concentrated under reduced pressure. Subsequently, the pH of the concentrate was adjusted to 3-4 with 10% hydrochloric acid solution and then extracted with ethyl acetate (3 x 100 mL). The organic phases were combined, dried with anhydrous magnesium sulfate and finally concentrated under reduced pressure to give 7 g (95% yield) of 3-(1H-pyrrol-2-yl)propionic acid as a white solid.

[References]

[1] Patent: WO2009/139834, 2009, A1. Location in patent: Page/Page column 161
[2] European Journal of Organic Chemistry, 2010, # 19, p. 3611 - 3620
[3] Tetrahedron, 2004, vol. 60, # 7, p. 1505 - 1511
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