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ChemicalBook--->CAS DataBase List--->6636-06-2

6636-06-2

6636-06-2 Structure

6636-06-2 Structure
IdentificationBack Directory
[Name]

5-PHENYL-1H-PYRROLE-2-CARBOXYLIC ACID
[CAS]

6636-06-2
[Synonyms]

TIMTEC-BB SBB000262
5-PHENYL-1H-PYRROLE-2-CARBOXYLIC ACID
1H-Pyrrole-2-carboxylic acid, 5-phenyl-
[Molecular Formula]

C11H9NO2
[MDL Number]

MFCD02575359
[MOL File]

6636-06-2.mol
[Molecular Weight]

187.19
Chemical PropertiesBack Directory
[Melting point ]

206-208 °C (decomp)
[Boiling point ]

452.3±33.0 °C(Predicted)
[density ]

1.285±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

4.45±0.10(Predicted)
[Appearance]

Off-white to pale purple Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS05
[Signal word ]

Danger
[Hazard statements ]

H314-H290
[Precautionary statements ]

P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

22
[HazardClass ]

IRRITANT
Spectrum DetailBack Directory
[Spectrum Detail]

5-PHENYL-1H-PYRROLE-2-CARBOXYLIC ACID(6636-06-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

1H-Pyrrole-2-carboxylic acid, 5-phenyl-, ethyl ester

13355-43-6

5-PHENYL-1H-PYRROLE-2-CARBOXYLIC ACID

6636-06-2

5-Phenylpyrrole-2-carboxylate (20 mg, 0.09 mmol) was dissolved in a solvent mixture of 1 mL of tetrahydrofuran, 0.5 mL of methanol and 0.5 mL of water. After stirring at room temperature, LiOH (4 mg, 0.18 mmol) was added. Stirring was continued at room temperature for 2 h. The progress of the reaction was monitored by thin layer chromatography (TLC) and after confirming that the reaction was complete, the solvent was removed using a rotary evaporator. Ice water was added to the reaction residue, which was then acidified with 1 M HCl solution to the appropriate pH and the precipitate was collected by filtration to afford 5-phenyl-1H-pyrrole-2-carboxylic acid (10 mg, 59% yield).

[References]

[1] Patent: CN107151255, 2017, A. Location in patent: Paragraph 0244; 0245; 0246
[2] Magnetic Resonance in Chemistry, 2009, vol. 47, # 12, p. 1101 - 1109
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