2-Fluoro-5-formylbenzonitrile
2-Fluoro-5-formylbenzonitrile Basic information
- Product Name:
- 2-Fluoro-5-formylbenzonitrile
- Synonyms:
-
- 10014 2-FLUORO-5-FORMYL BENZONITRILE
- 6002 2-FLUORO-5-FORMYL BENZONITRILE
- 4-Fluoro-3-cyanobenzaldehyde
- 2-Fluor-5-formylbenzonitrile
- 2-Fluoro-5-formylbenzonitrile 97%
- 3-cyano-4-flluorobenzaldehyde
- Benzonitrile, 2-fluoro-5-formyl-
- CYANOFLUOROBENZALDEHYDE-3-4
- CAS:
- 218301-22-5
- MF:
- C8H4FNO
- MW:
- 149.12
- Product Categories:
-
- Phenyls & Phenyl-Het
- Benzaldehyde
- Phenyls & Phenyl-Het
- C8 to C9
- Cyanides/Nitriles
- Nitrogen Compounds
- ALDEHYDE
- HALIDE
- Aromatic Nitriles
- Aldehydes
- john's
- Mol File:
- 218301-22-5.mol
2-Fluoro-5-formylbenzonitrile Chemical 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)
Safety Information
- 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
MSDS
- Language:English Provider:SigmaAldrich
2-Fluoro-5-formylbenzonitrile Usage And Synthesis
Description
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.
Chemical Properties
White Solid
Uses
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%).
Uses
2-Fluoro-5-ForMyl-benzonitrile is used in the preparation of heterocyclic compounds as PARP inhibitors for medical use.
General Description
2-Fluoro-5-formylbenzonitrile is a benzonitrile derivative.
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2-Fluoro-5-formylbenzonitrile(218301-22-5)Related Product Information
- 3,4-Difluorobenzonitrile
- 2,6-Difluorobenzonitrile
- 2,4-Difluorobenzonitrile
- o-Phthalaldehyde
- Olaparib
- 4-Fluorocinnamaldehyde
- 3-Cyanobenzaldehyde
- 4-Fluorobenzaldehyde
- 4-CHLORO-3-FORMYL-BENZONITRILE
- 3-FLUORO-5-FORMYLBENZONITRILE
- 6-(DIMETHYLAMINO)-2-FLUORO-3-FORMYLBENZONITRILE,6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile, 95+%