| Identification | More | [Name]
4-FLUORO-3-METHOXYBENZOIC ACID | [CAS]
82846-18-2 | [Synonyms]
3-METHOXY-4-FLUOROBENZOIC ACID
4-FLUORO-3-METHOXYBENZOIC ACID
BUTTPARK 14\01-28
RARECHEM AL BO 0973
4-Fluoro-3-methoxybenzoic
4-fluoro-m-anisic acid | [Molecular Formula]
C8H7FO3 | [MDL Number]
MFCD00272134 | [Molecular Weight]
170.14 | [MOL File]
82846-18-2.mol |
| Chemical Properties | Back Directory | [Appearance]
White to light yellow crystal powder | [Melting point ]
206 °C | [Boiling point ]
304.8±22.0 °C(Predicted) | [density ]
1.307±0.06 g/cm3(Predicted) | [Fp ]
>110℃ | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
4.02±0.10(Predicted) | [color ]
White to Yellow to Orange | [BRN ]
4178071 | [InChIKey]
LWGCZCMLPRMKIZ-UHFFFAOYSA-N | [CAS DataBase Reference]
82846-18-2(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:Wear suitable protective clothing . | [Hazard Note ]
Irritant | [HS Code ]
29189900 |
| Hazard Information | Back Directory | [Chemical Properties]
White to light yellow crystal powder | [Synthesis Reference(s)]
Journal of Medicinal Chemistry, 33, p. 2408, 1990 DOI: 10.1021/jm00171a014 | [Synthesis]
The general procedure for the synthesis of 3-methoxy-4-fluorobenzoic acid from methyl 4-fluoro-3-methoxybenzoate was as follows: methyl 4-fluoro-3-methoxybenzoate (11 g, 59.8 mmol) was dissolved in methanol (100 mL), and a solution of sodium hydroxide (9.5 g, 240 mmol) in water (20 mL) was added, and the reaction was stirred for 4 h at room temperature. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure to give a residue. The residue was dissolved in water (100 mL) and the pH was adjusted with 1N HCl solution to 4. Subsequently, the precipitated solid was collected by filtration, washed with water (3 x 50 mL), and dried to give 3-methoxy-4-fluorobenzoic acid as a white solid (9 g, 97% yield). The product was characterized by 1H-NMR (300 MHz, DMSO-d6): δ 7.66-7.55 (m, 2H), 7.37-7.30 (m, 1H), 3.91 (s, 3H). | [References]
[1] Patent: WO2014/66795, 2014, A1. Location in patent: Paragraph 0175
[2] Patent: US2004/204427, 2004, A1. Location in patent: Page/Page column 42 |
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