4-fluoro-2-Methoxy-5-nitroaniline
- CAS NO.：1075705-01-9
- Empirical Formula: C7H7FN2O3
- Molecular Weight: 186.14
- MDL number: MFCD23098941
- EINECS: 806-172-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-13 12:20:35
What is 4-fluoro-2-Methoxy-5-nitroaniline?
The Uses of 4-fluoro-2-Methoxy-5-nitroaniline
4-Fluoro-2-methoxy-5-nitroaniline is used as a reagent for preparing the anticancer drug Mereletinib.
Synthesis
4-FLUORO-2-METHOXYANILINE(551 mg, 3.90 mmol) is dissolved in dichloromethane (39.0 mL), concentrated sulfuric acid (1.85 mL) is added dropwise with stirring under ice-cooling, and then concentrated nitric acid (267 μL, 5.85 mmol) is added dropwise. After stirring for 3 hours under ice-cooling, saturated aqueous sodium bicarbonate was added until pH 8 was reached. After washing with saturated aqueous sodium bicarbonate solution, washing with saturated brine, the organic layer was dried over sodium sulfate and evaporated under reduced pressure to obtain 675 mg of the 4-fluoro-2-Methoxy-5-nitroaniline (yield 93%).
Properties of 4-fluoro-2-Methoxy-5-nitroaniline
| Melting point: | 130 °C |
| Boiling point: | 354.8±37.0 °C(Predicted) |
| Density | 1.412±0.06 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| form | powder to crystal |
| pka | 2.31±0.10(Predicted) |
| color | Light yellow to Brown |
| InChI | InChI=1S/C7H7FN2O3/c1-13-7-2-4(8)6(10(11)12)3-5(7)9/h2-3H,9H2,1H3 |
Safety information for 4-fluoro-2-Methoxy-5-nitroaniline
| 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. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
Computed Descriptors for 4-fluoro-2-Methoxy-5-nitroaniline
| InChIKey | FYSIGSQCZXQTIH-UHFFFAOYSA-N |
| SMILES | C1(N)=CC([N+]([O-])=O)=C(F)C=C1OC |
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product: 4-fluoro-2-methoxy-5-nitroaniline
Molecular Formula: C7H7FN2O3
Molecular Weight: 186.14 98%
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