3-FLUORO-5-FORMYLBENZONITRILE
- CAS NO.:1003708-42-6
- Empirical Formula: C8H4FNO
- Molecular Weight: 149.12
- MDL number: MFCD04974123
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is 3-FLUORO-5-FORMYLBENZONITRILE?
The Uses of 3-FLUORO-5-FORMYLBENZONITRILE
3-Fluoro-5-formylbenzonitrile is benzaldehyde based building block used as a reactant in catalyst-free synthesis of N-β-hydroxyethyl pyrroles and indoles via a domino [3+2] cycloaddition and ring-opening aromatization process.
What are the applications of Application
3-FLUORO-5-FORMYLBENZONITRILE can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.
Synthesis
3 -fluoro-5 -formylbenzonitrile : A solution of 3 -bromo-5 -fluorobenzonitrile(5.00 g, 25.0 mmol) in dry THF (25 mL) was cooled to 0 °C and 2M iPrMgCl (15.0 mL, 30.0 mmol) in THF was added dropwise over 5 minutes. The mixture was stirred at 0 °C for 15 minutes then at ambient temperature for 1 hour. The mixture was cooled to 0 °C and dry DMF (5.81 mL, 75.0 mmol) was added. The mixture was stirred for 17 hours during which time the temperature reached ambient temperature after 2 hours. The mixture was added to ice water (150 mL) and Et20 (100 mL). The biphasic mixture was stirred and treated with 6M HC1 to aqueous pH=3. The organic layer was removed and the aqueous layer extracted with Et20 (2X). The combined Et20 fractions were washed with saturated NaCl and dried over MgS04/activated carbon. The dried solution was filtered through a S1O2 plug eluting with Et20. The filtrate was concentrated to give the title compound as a yellow solid that was dried in vacuum (3.68 g, 99percent). 1H NMR (CDC13) δ 10.0 (s, 1H), 8.00 (s, 1H), 7.81-7.86 (m, 1H), 7.62-7.67 (m, 1H).
Properties of 3-FLUORO-5-FORMYLBENZONITRILE
Boiling point: | 205℃ |
Density | 1.25 |
Flash point: | 77℃ |
storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
form | solid |
color | Off-white |
Safety information for 3-FLUORO-5-FORMYLBENZONITRILE
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 |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
Computed Descriptors for 3-FLUORO-5-FORMYLBENZONITRILE
New Products
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