| Identification | More | [Name]
5-Phenylthiophene-2-carboxylic acid | [CAS]
19163-24-7 | [Synonyms]
5-PHENYL-2-THIOPHENECARBOXYLIC ACID
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
AKOS B029964
AKOS BAR-0576
BUTTPARK 98\04-16
RARECHEM AL BE 0489
5-Phenylthiophene-2-carboxylic acid, 95+% | [Molecular Formula]
C11H8O2S | [MDL Number]
MFCD01313432 | [Molecular Weight]
204.25 | [MOL File]
19163-24-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
186-190°C | [Boiling point ]
393.6±30.0 °C(Predicted) | [density ]
1.303±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C(protect from light) | [form ]
powder to crystal | [pka]
3.52±0.10(Predicted) | [color ]
White to Orange to Green | [λmax]
310nm(EtOH)(lit.) | [CAS DataBase Reference]
19163-24-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection . | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2934999090 |
| Hazard Information | Back Directory | [Definition]
ChEBI: 5-Phenylthiophene-2-carboxylic acid is a thiophenecarboxylic acid. | [Synthesis]
GENERAL STEPS: To a mixed solution of methanol (5 mL) and tetrahydrofuran (5 mL) of 2-methoxycarbonyl-5-phenylthiophene (437 mg) was added 1 N aqueous sodium hydroxide (3 mL), and the reaction was stirred for 2 hours at room temperature. After completion of the reaction, 1 N hydrochloric acid (5 mL) was slowly added to the reaction mixture for acidification. The precipitated solid was collected by filtration and washed with a small amount of cold water and dried under vacuum to give 5-phenylthiophene-2-carboxylic acid (397 mg, 97.1% yield). The product was confirmed by NMR hydrogen spectrum (DMSO-d6, δ): 7.3-7.5 (3H, m), 7.58 (1H, d, J = 3.9 Hz), 7.6-7.8 (3H, m), 13.15 (1H, wide s). Electrospray mass spectrometry (ESI-MS) showed m/z: 203 ([M-H]-). | [References]
[1] Patent: US6770667, 2004, B1. Location in patent: Page column 11
[2] ChemMedChem, 2011, vol. 6, # 2, p. 362 - 377
[3] European Journal of Medicinal Chemistry, 2017, vol. 137, p. 96 - 107
[4] Journal of Medicinal Chemistry, 2010, vol. 53, # 15, p. 5536 - 5548 |
|
|