| Identification | Back Directory | [Name]
Methyl-4-amino-3-fluorobenzoate | [CAS]
185629-32-7 | [Synonyms]
Methyl-4-amino-3-fluorobenzoate
Methyl 3-fluoro-4-aMinobenzoate
2-Fluoro-4-(methoxycarbonyl)aniline
3-Fluoro-4-aminobenzoic acid methyl ester
Benzoic acid, 4-aMino-3-fluoro-, Methyl ester | [Molecular Formula]
C8H8FNO2 | [MDL Number]
MFCD08689703 | [MOL File]
185629-32-7.mol | [Molecular Weight]
169.15 |
| Chemical Properties | Back Directory | [Melting point ]
109-110°C | [Boiling point ]
296℃ | [density ]
1.264 | [Fp ]
133℃ | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [form ]
powder | [pka]
1.07±0.10(Predicted) | [color ]
White to off-white |
| Questions And Answer | Back Directory | [Uses]
4-Amino-3-fluorophenylcarboxylic acid methyl ester is a carboxylic acid ester derivative that can be used as a pharmaceutical intermediate. |
| Hazard Information | Back Directory | [Chemical Properties]
Brown solid | [Synthesis]
General procedure for the synthesis of methyl 4-amino-3-fluorobenzoate from methyl 3-fluoro-4-nitrobenzoate: Methyl 3-fluoro-4-nitrobenzoate (2.50 g, 12.5 mmol) and Pd/C catalyst (300 mg, 10 wt%) were placed in a 1:1 EtOAc/EtOH solvent mixture (40 mL). The reaction mixture was stirred at room temperature and 1 atm hydrogen atmosphere for 16 hours. After completion of the reaction, the mixture was filtered through diatomaceous earth and the filtrate was concentrated under reduced pressure to afford methyl 4-amino-3-fluorobenzoate (2.1 g, 99% yield) as a beige solid. Mass spectrometry analysis (ES+): the theoretical molecular weight of C8H8FNO2 was 169 and the measured value was 170 [M + H]+. | [References]
[1] Patent: WO2018/81276, 2018, A1. Location in patent: Page/Page column 154
[2] Patent: EP3401315, 2018, A1. Location in patent: Paragraph 0096; 0097
[3] Patent: WO2007/16392, 2007, A2. Location in patent: Page/Page column 48
[4] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 13, p. 4345 - 4359
[5] Patent: US2003/232889, 2003, A1. Location in patent: Page/Page column 15 |
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