2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
- CAS NO.：763114-25-6
- Empirical Formula: C16H8FNO2
- Molecular Weight: 265.24
- MDL number: MFCD13181869
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-19 15:40:22
What is 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile?
Chemical properties
White Solid
The Uses of 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
Intermediate in the preparation of poly (ADP-ribose) polymerase (PARP) inhibitors.
Synthesis
(3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonic acid (5.00 g, 0.021 mol) in tetrahydrofuran (30 mL) was added to a 150 mL round-bottom flask. To this solution, triethylamine(5.6 mL, 0.042 mol) was added. 2-Fluoro-5-formyl benzonitrile( 3.08 g, 0.021 mol) was dissolved in tetrahydrofuran into another round-bottom flask, followed by adding triethylamine (2.9 mL, 0.021 mol) and stirring evenly. Then the reaction fluids in the two flasks were mixed and reacted at room temperature for 12 h. The product was concentrated under reduced pressure and 50 mL of water was added. The suspension was stirred for 30 min until the solids were not precipitated. Finally, filtration was performed, and the filter cake was collected and dried to obtain 2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile(5.41 g, 97%).![2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile](/NewsImg/2023-10-18/6383321843554810432958503.jpg "2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile")
Properties of 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
| Boiling point: | 430.1±45.0 °C(Predicted) |
| Density | 1.38 |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Dichloromethane, Tetrahydrofuran |
| form | Solid |
| color | White |
| InChI | InChI=1S/C16H8FNO2/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(19)20-15/h1-8H |
Safety information for 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
| InChIKey | MMPHWTMMVPBHRZ-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC(C=C2C3=C(C=CC=C3)C(=O)O2)=CC=C1F |
2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile manufacturer
Aruvi Labs
Tamil Nadu
Phone:91-0-8056181939
Whatsapp: 91-0-8056181939
product: 2-Fluoro-5-(3-oxo-3H-isobenzofuran-1-ylidenemethyl)-benzonitrile
New Products
DL-beta-(3-Bromophenyl)alanine Tetrabutylammonium perchlorate N,O-Dimethylhydroxylamine hydrochloride (RS)-beta-Amino-beta-(4-bromophenyl)propionic acid 2-Amino-5-bromo-4-(trifluoromethyl)pyridine（RM for Indian lab) N,N CARBONYL DIIMIDAZOLE Levothyroxine Impurity-F Montelukast EP Impurity-D/Montelukast USP Related Compound C Atorvastatin FXA Impurity/Atorvastatin Cyclic 6-Hydroxy Impurity Sodium Salt Isosulfan blue Keto N-Oxide Impurity Ivermectin Impurity F N-Nitroso des Methyl Tramadol/N-Nitroso-N-Desmethyl-Tramadol (R)-BoroLeu-(+)-Pinanediol-CF3COOH 1,4-bis(methylsulfonyl)butane 4-(5-amino-1-methyl-1h-benzoimidazol-2-yl)-butyric acid isopropyl ester. 5-Methyl-1,3-benzenediacetonitrile 4-Fluorothiophenol 1-methyl amino-2,4-dinitro benzene CSA (DL-10-Camphorsulfonic Acid) 2-Hydroxy-4-methylnicotinic acid 3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine (2S)-1-((2S,3S)-3-(2-methylbutyl)-4-oxooxetan-2-yl)pentadecan-2-yl formylleucinate 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethane-1-sulfonyl chloride S-(1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl) ethanethioateRelated products of tetrahydrofuran
You may like
-
![763114-25-6 2- Fluoro-5-[(3-oxo-1(3H)-isobenzo-furanylidene)-methyI]I-
benzonitrile 99%](https://img.chemicalbook.in//ProductImageIndia/2024-03/Raw/8df16826-4709-4059-bfa7-a379b7c0c2bc.png)
763114-25-6 2- Fluoro-5-[(3-oxo-1(3H)-isobenzo-furanylidene)-methyI]I- benzonitrile 99%View Details
763114-25-6 -
763114-25-6 98%View Details
763114-25-6 -
2-Fluoro-5-(3-oxo-3H-isobenzofuran-1-ylidenemethyl)-benzonitrile 98%View Details
763114-25-6 -
674783-97-2 98+View Details
674783-97-2 -
H-D-TRP(FOR)-OH HCL 98+View Details
367453-01-8 -
3-Amino-3-(4-fluorophenyl)propanoic acid 98+View Details
325-89-3 -
1428243-26-8 98+View Details
1428243-26-8 -
1-aminocyclopentane carbonitrile, HCl 98+View Details
16195-83-8
Statement: All products displayed on this website are only used for non medical purposes such as industrial applications or scientific research, and cannot be used for clinical diagnosis or treatment of humans or animals. They are not medicinal or edible.