2-Fluoro-5-formylbenzonitrile , >98.0%(GC) , 218301-22-5
| Pack Size | Price | Stock | Quantity |
| 1G | RMB35.20 | In Stock |
|
| 5G | RMB73.60 | In Stock |
|
| 25g | RMB224.80 | In Stock |
|
| 100g | RMB679.20 | In Stock |
|
| others | Enquire |
PRODUCT Properties
| Melting point: | 80-84 °C (lit.) |
| Boiling point: | 215.6±20.0 °C(Predicted) |
| Density | 1.25±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | Chloroform, Methanol |
| form | Solid |
| color | White |
| InChI | InChI=1S/C8H4FNO/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3,5H |
| InChIKey | MOFRJTLODZILCR-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC(C=O)=CC=C1F |
| CAS DataBase Reference | 218301-22-5(CAS DataBase Reference) |
Description and Uses
2-Fluoro-5-formylbenzonitrile is a pharmaceutical intermediate compound used in the preparation of Olaparib, a PARP inhibitor for the treatment of a variety of cancers including advanced ovarian, fallopian tube, or primary peritoneal cancers with a certain hereditary (germline) or acquired (somatic) abnormality of the BRCA gene.
2-Fluoro-5-formylbenzonitrile may be used in the synthesis of 3-cyano-4-fluorobenzyl bromide. It could be used to synthesis 2-fluoro-5-(4-ethoxybenzyl)benzonitrile. 2-Fluoro-5-formylbenzonitrile (10g, 1eq) was dissolved in 100mL 1,4-dioxane, p-toluenesulfonyl hydrazide (13.7g, 1eq) was added, stirred at room temperature for 3 hours, and then added Potassium carbonate (13.9 g, 1.5 eq), 4-ethoxyphenylboronic acid (12.2 g, 1 eq), warmed to 100 C. and stirred for 12 hours. After TLC monitoring the reaction of the raw materials, filter, spin dry the filtrate, add petroleum ether and stir for half an hour, filter, and spin dry the filtrate to obtain 15 g of 2-fluoro-5-(4-ethoxybenzyl)benzonitrile (the yield is 88%).
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H312-H315-H319-H332-H335-H302+H312+H332 |
| Precautionary statements | P264-P270-P271-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P261-P280-P305+P351+P338 |
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| Hazard Note | Harmful |
| HazardClass | IRRITANT |
| HS Code | 29269090 |
