2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
- Product Name
- 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
- CAS No.
- 763114-25-6
- Chemical Name
- 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
- Synonyms
- (Z)-2-fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)Methyl)benzonitrile;2-Fluoro-5-(3-oxo-3H-isobenzofuran-1-ylidenemethyl)-benzonitrile;2-fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)Methyl)benzonitrile;2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile;Olaparib Impurity 76;2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)meth;2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoni;2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]benzoni...;2-Fluoro-5- (3-oxo-1 (3H) - isobenzofuran) methyl] benzonitrile;2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile
- CBNumber
- CB52506451
- Molecular Formula
- C16H8FNO2
- Formula Weight
- 265.24
- MOL File
- 763114-25-6.mol
2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile Property
- 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
- InChIKey
- MMPHWTMMVPBHRZ-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC(C=C2C3=C(C=CC=C3)C(=O)O2)=CC=C1F
Safety
- HS Code
- 2932990090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- F595100
- Product name
- 2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile
- Packaging
- 2.5g
- Price
- $1320
- Updated
- 2021/12/16
- Product number
- PC51400
- Product name
- 2-Fluoro-5-(3-oxo-3H-isobenzofuran-1-ylidenemethyl)-benzonitrile
- Purity
- 97%
- Packaging
- 1g
- Price
- $54
- Updated
- 2021/12/16
- Product number
- 1871AC
- Product name
- 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
- Packaging
- 1g
- Price
- $77
- Updated
- 2021/12/16
- Product number
- CS-M0105
- Product name
- 2-fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
- Packaging
- 10g
- Price
- $92
- Updated
- 2021/12/16
- Product number
- PC51400
- Product name
- 2-Fluoro-5-(3-oxo-3H-isobenzofuran-1-ylidenemethyl)-benzonitrile
- Purity
- 97%
- Packaging
- 5g
- Price
- $120
- Updated
- 2021/12/16
2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile Chemical Properties,Usage,Production
Chemical Properties
White Solid
Uses
2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile is intermediate in the preparation of poly (ADP-ribose) polymerase (PARP) inhibitors. Olaparib intermediate.
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%).
References
[1] Journal of Medicinal Chemistry, 2015, vol. 58, # 21, p. 8683 - 8693
[2] Patent: WO2012/71684, 2012, A1. Location in patent: Page/Page column 23
[3] Patent: WO2012/166983, 2012, A1. Location in patent: Page/Page column 70
[4] Patent: US2013/224107, 2013, A1. Location in patent: Paragraph 0141; 0142
[5] Patent: CN106146504, 2016, A. Location in patent: Paragraph 0136; 0137; 0138; 0149; 0150
2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile manufacturers
- Product
- 2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]benzonitrile 763114-25-6
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 1
- Release date
- 2025-08-28
- Product
- 2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile 763114-25-6
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 1ton
- Release date
- 2022-09-28
- Product
- 2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile 763114-25-6
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1 ton
- Release date
- 2023-12-27