| Identification | More | [Name]
5-FLUORO-2-METHOXYBENZOIC ACID | [CAS]
394-04-7 | [Synonyms]
5-FLUORO-2-METHOXYBENZOIC ACID
BUTTPARK 32\01-79
RARECHEM AL BO 1468 | [EINECS(EC#)]
627-722-4 | [Molecular Formula]
C8H7FO3 | [MDL Number]
MFCD00671765 | [Molecular Weight]
170.14 | [MOL File]
394-04-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
87-91 °C (lit.) | [Boiling point ]
294.0±20.0 °C(Predicted) | [density ]
1.307±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
fluffy powder | [pka]
3.75±0.10(Predicted) | [color ]
White | [Water Solubility ]
Insoluble in water. | [InChI]
InChI=1S/C8H7FO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11) | [InChIKey]
WPXFJBPJUGMYOD-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(F)=CC=C1OC | [CAS DataBase Reference]
394-04-7(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 . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HS Code ]
2918999090 |
| Hazard Information | Back Directory | [Chemical Properties]
off-white powder | [Uses]
5-Fluoro-3-hydroxy-2-methylbenzoic acid 1 was synthesized from 5-fluoro-2-methylbenzoic acid by nitration, reduction, diazotization and hydrolysis. Another methylcarbamoyl-substituted benzylamine 12 was synthesized from 5-fluoro-2-methylbenzoic acid via the sequential bromination,azido replacement and the reduction. | [reaction suitability]
reaction type: solution phase peptide synthesis | [Synthesis]
(2) Synthesis of 2-methoxy-5-fluorobenzoic acid: Methyl 5-fluoro-2-methoxybenzoate (0.61 g) was added to 10% potassium hydroxide solution in methanol (V/V=1:2) and the reaction was stirred at room temperature. The reaction progress was monitored by thin layer chromatography (TLC). After completion of the reaction, methanol was removed by distillation under reduced pressure. Subsequently, the pH of the reaction solution was adjusted to 2-3 with 2M hydrochloric acid solution and a white solid was precipitated. The solid was collected by filtration and washed with deionized water and dried under vacuum to give 2-methoxy-5-fluorobenzoic acid in 96% yield. | [References]
[1] Patent: CN103965066, 2016, B. Location in patent: Paragraph 0054; 0055; 0056
[2] Patent: WO2017/214367, 2017, A1. Location in patent: Page/Page column 95 |
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