| Identification | Back Directory | [Name]
2-(N-2''-FLURO-4''-IODOPHENYL)AMINO-3,4-DIFLUORO BENZOIC ACID | [CAS]
391211-97-5 | [Synonyms]
2-(2-Fluoro-4-iodoanilino)-3,4-difluorobenzoic Acid
3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid
2-(2-Fluoro-4-iodoanilino)-3,4-difluorobenzoic acid 98%
3,4-Difluoro-2-(2-fluoro-4-iodophenylaMino)benzoic Acid
3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)aMino]benzoic Acid
Benzoic acid, 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)aMino]-
2-(N-2''-FLURO-4''-IODOPHENYL)AMINO-3,4-DIFLUORO BENZOIC ACID | [EINECS(EC#)]
809-435-8 | [Molecular Formula]
C13H7F3INO2 | [MDL Number]
MFCD08690072 | [MOL File]
391211-97-5.mol | [Molecular Weight]
393.1 |
| Chemical Properties | Back Directory | [Melting point ]
189-191°C | [Boiling point ]
370.1±42.0 °C(Predicted) | [density ]
1.939±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [solubility ]
DMSO (Sparingly), Methanol (Slightly) | [form ]
Solid | [pka]
3.25±0.36(Predicted) | [color ]
Off-White to Beige | [InChI]
InChI=1S/C13H7F3INO2/c14-8-3-2-7(13(19)20)12(11(8)16)18-10-4-1-6(17)5-9(10)15/h1-5,18H,(H,19,20) | [InChIKey]
REMYZOSCCVDLDL-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(F)C(F)=C1NC1=CC=C(I)C=C1F |
| Hazard Information | Back Directory | [Chemical Properties]
Off-White Solid | [Uses]
Intermediate in the preparation of MEK inhibitors. | [Synthesis]
To a solution of methyl-3,4-diflluoro-2-((2-flluoro-4-iodophenyl)amino)benzoate (23, 6.0 g, 23.8 mmol) in methanol (80 mL) and water (80 mL) was added LiOH (7.8 g, 195 mmol). The reaction mixture was stirred at 78 C in an oil bath for 1 h. After cooling, the reaction mixture was acidified to pH = 2 with a 2 N HCl solution. The solid was filtered and washed with water to provide 2-(2-Fluoro-4-iodoanilino)-3,4-difluoro benzoic Acid (5.11 g, 96%) as a white solid.
| [References]
[1] Neuropharmacology, 2019, vol. 144, p. 122 - 132
[2] Angewandte Chemie - International Edition, 2013, vol. 52, # 33, p. 8551 - 8556
[3] Angew. Chem., 2013, vol. 125, # 33, p. 8713 - 8718,6
[4] Patent: WO2006/134469, 2006, A1. Location in patent: Page/Page column 13-14
[5] Patent: WO2004/56789, 2004, A1. Location in patent: Page 16; 23-24; 28; 31-32; 37-38 |
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