2-Fluoro-4-hydroxybenzaldehyde
- CAS NO.:348-27-6
- Empirical Formula: C7H5FO2
- Molecular Weight: 140.11
- MDL number: MFCD06797918
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-04-08 13:48:25
What is 2-Fluoro-4-hydroxybenzaldehyde?
The Uses of 2-Fluoro-4-hydroxybenzaldehyde
2-Fluoro-4-hydroxybenzaldehyde is a useful reagent for preparation of 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors.
The Uses of 2-Fluoro-4-hydroxybenzaldehyde
2-Fluoro-4-hydroxybenzaldehyde is mainly used as an intermediate for physiologically active compounds such as pharmaceuticals or pesticides and is a wide range of organic building blocks. Its structure contains fluorine, aldehyde groups, and phenolic hydroxyl groups, and these groups can add or replace other functional groups.
Synthesis
Preparation of 2-fluoro-4-hydroxybenzaldehyde involves: (1) mixing 3-fluorophenol (I), potassium carbonate, and 2-bromopropane in an organic solvent, and heating to react to obtain 1-fluoro-3-isopropoxybenzene (II); (2) dissolving compound (II) in an organic solvent and reacting with a brominating reagent to obtain 1-bromo-2-fluoro-4-isopropoxybenzene (III); (3) dissolving compound (III) in tetrahydrofuran, dripping isopropylmagnesium chloride/tetrahydrofuran solution at -10°C to 0°C, adding dimethylformamide to react after Grignard exchange to obtain 2-fluoro-4-isopropoxybenzaldehyde (IV); and (4) reacting compound (IV) with boron trichloride and deprotecting.
Properties of 2-Fluoro-4-hydroxybenzaldehyde
Melting point: | 168-170°C |
Boiling point: | 254.2±20.0 °C(Predicted) |
Density | 1.350±0.06 g/cm3(Predicted) |
storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
pka | 6.78±0.18(Predicted) |
color | Light tan |
InChI | InChI=1S/C7H5FO2/c8-7-3-6(10)2-1-5(7)4-9/h1-4,10H |
CAS DataBase Reference | 348-27-6(CAS DataBase Reference) |
Safety information for 2-Fluoro-4-hydroxybenzaldehyde
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 2-Fluoro-4-hydroxybenzaldehyde
InChIKey | ONRPXRPUBXXCCM-UHFFFAOYSA-N |
SMILES | C(=O)C1=CC=C(O)C=C1F |
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