4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one
- Product Name
- 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one
- CAS No.
- 763111-47-3
- Chemical Name
- 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one
- Synonyms
- 4-[4-Fluoro-3-(1-piperazinylcarbonyl)benzyl]-1(2H)-phthalazinone;Olapali impurity 15;N-Descyclopropanecarbaldehyde Olaparib;Olaparib Descyclopropanecarbonyl Impurity;4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)Phthalazin-1(2H)...;4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one;4-[4'-fluoro-3'-(piperazine-1''-carbonyl)benzyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]Methyl]-2H-phthalazin-1-one;1(2H)-Phthalazinone, 4-[[4-fluoro-3-(1-piperazinylcarbonyl)phenyl]methyl]-;1-[5-[(3,4-Dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine
- CBNumber
- CB02623975
- Molecular Formula
- C20H19FN4O2
- Formula Weight
- 366.39
- MOL File
- 763111-47-3.mol
4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one Property
- Density
- 1.39±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly)
- form
- Solid
- pka
- 12.07±0.40(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C20H19FN4O2/c21-17-6-5-13(11-16(17)20(27)25-9-7-22-8-10-25)12-18-14-3-1-2-4-15(14)19(26)24-23-18/h1-6,11,22H,7-10,12H2,(H,24,26)
- InChIKey
- MFFUYEOGICAKCK-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC=C2)C(CC2=CC=C(F)C(C(N3CCNCC3)=O)=C2)=NN1
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
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
- F594442
- Product name
- 4-[[4-Fluoro-3-(1-piperazinylcarbonyl)phenyl]methyl]-1(2H)-phthalazinone
- Packaging
- 1g
- Price
- $55
- Updated
- 2021/12/16
- Product number
- J50601
- Product name
- 4-(4-Fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one
- Packaging
- 1g
- Price
- $25
- Updated
- 2021/12/16
- Product number
- J50601
- Product name
- 4-(4-Fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one
- Packaging
- 5g
- Price
- $75
- Updated
- 2021/12/16
- Product number
- J11230
- Product name
- OlaparibImpurity13
- Packaging
- 25mg
- Price
- $98
- Updated
- 2021/12/16
- Product number
- A510198
- Product name
- 4-(4-Fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one
- Purity
- 97%
- Packaging
- 250mg
- Price
- $17
- Updated
- 2021/12/16
4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one Chemical Properties,Usage,Production
Uses
4-[[4-Fluoro-3-(1-piperazinylcarbonyl)phenyl]methyl]-1(2H)-phthalazinone is an intermediate used in the preparation of 4-benzyl-2H-phthalazin-1-ones that functions as PARP-1 and PARP-2 inhibitor.
Synthesis
763114-04-1
763111-47-3
The general procedure for the synthesis of 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one from tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazine-1-carboxylate was carried out as follows: the raw material (13.6 g, 29 mmol) was dissolved in 30 ml of ethanol at room temperature and slowly 6 ml of concentrated hydrochloric acid (60 ml) was added and the reaction was continuously stirred for 3 hours. After completion of the reaction, the reaction solution was concentrated to about 50 ml. The pH was adjusted to 10 with 4N NH4OH solution. subsequently, the reaction mixture was extracted with dichloromethane (3 x 50 ml), the organic phases were combined and washed with 50 ml of water. The organic phase was dried by adding anhydrous sodium sulfate for 30 min. After drying, the sodium sulfate was removed by filtration and the filtrate was allowed to stand overnight to precipitate the product. Finally, the white solid product 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one (9.9 g, 92% yield) was collected by filtration.
References
[1] Journal of Medicinal Chemistry, 2008, vol. 51, # 20, p. 6581 - 6591
[2] Patent: CN106946792, 2017, A. Location in patent: Paragraph 0074; 0081-0084
[3] Patent: CN106928149, 2017, A. Location in patent: Paragraph 0006; 0015; 0028; 0036; 0044-0046
[4] Journal of Medicinal Chemistry, 2015, vol. 58, # 21, p. 8683 - 8693
[5] Patent: WO2008/47082, 2008, A2. Location in patent: Page/Page column 22
4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one Preparation Products And Raw materials
Raw materials
Preparation Products
4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one Suppliers
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View Lastest Price from 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one manufacturers
- Product
- 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one 763111-47-3
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 1
- Release date
- 2025-08-28
- Product
- 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one 763111-47-3
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 1ton
- Release date
- 2022-09-29
- Product
- 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one 763111-47-3
- Price
- US $8.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10kg
- Release date
- 2021-11-26