| Identification | More | [Name]
3-Fluoro-4-methoxybenzeneboronic acid | [CAS]
149507-26-6 | [Synonyms]
3-FLUORO-4-METHOXYBENZENEBORONIC ACID
3-FLUORO-4-METHOXYPHENYLBORONIC ACID
AKOS BRN-0215
3-Fluoro-4-Methoxyphenylboroni
3-Fluoro-4-methoxybenzeneboronic acid, 98+%
3-Fluoro-4-methoxyphenylboronic acid ,98% | [Molecular Formula]
C7H8BFO3 | [MDL Number]
MFCD00807404 | [Molecular Weight]
169.95 | [MOL File]
149507-26-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
206-211 °C (lit.) | [Boiling point ]
318.1±52.0 °C(Predicted) | [density ]
1.26±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder | [pka]
7.87±0.10(Predicted) | [color ]
White to Light yellow to Light orange | [Detection Methods]
HPLC,NMR | [BRN ]
7370120 | [InChI]
1S/C7H8BFO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,1H3 | [InChIKey]
IILGLPAJXQMKGQ-UHFFFAOYSA-N | [SMILES]
COc1ccc(cc1F)B(O)O | [CAS DataBase Reference]
149507-26-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [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 .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29319090 | [Storage Class]
13 - Non Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
Reactant for:
- Preparation of hydroxyphenylnaphthols as 17?-hydroxysteroid dehydrogenase Type 2 inhibitors
- Regioselective Suzuki coupling
- Ruthenium-catalyzed arylation reactions
- Synthesis of amino-trimethoxyphenyl-aryl thiazoles as microtubule inhibitors and potential antitumors
- Rhodium catalyzed cyanation
- Petasis reaction
| [Uses]
3-Fluoro-4-methoxyphenylboronic Acid is a useful reagent for regioselective Suzuki coupling reactions and other synthetic transformations. | [Uses]
suzuki reaction | [General Description]
Contains varying amounts of anhydride | [Synthesis]
3-Fluoro-4-methoxyphenylboronic acid was synthesized as follows: using 4-bromo-2-fluoroanisole (10 g, 0.049 mol) as starting material, n-butyllithium (23.4 mL of 2.5 M hexane solution, 0.059 mol) was added dropwise under anhydrous and oxygen-free conditions at -78°C and the reaction was stirred for 1 hour. Subsequently, triisopropyl borate (45.2 mL, 36.9 g, 0.196 mol) was slowly added and the reaction mixture was gradually warmed to room temperature and stirring was continued for 12 hours. Upon completion of the reaction, the reaction was quenched by the addition of dilute hydrochloric acid, extracted with ethyl acetate and the organic phase was dried over anhydrous sodium sulfate and concentrated. The crude product was purified by column chromatography to afford 7.1 g of 3-fluoro-4-methoxyphenylboronic acid as white solid in 85.2% yield. The product was confirmed by mass spectrometry (ESI), m/z 169 (MH)-; 1H NMR (DMSO-d6) data were as follows: δ 3.84 (3H, s), 7.10-7.16 (1H, m), 7.51-7.60 (2H, m). | [References]
[1] Patent: US2003/181519, 2003, A1 |
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