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
- Molecular Weight:
- 366.39
- MDL Number:
- MFCD18251631
- MOL File:
- 763111-47-3.mol
- MSDS File:
- SDS
| Density | 1.39±0.1 g/cm3(Predicted) |
|---|---|
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | DMSO (Slightly) |
| pka | 12.07±0.40(Predicted) |
| form | Solid |
| 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 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one price More Price(13)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TRC | F594442 | 4-[[4-Fluoro-3-(1-piperazinylcarbonyl)phenyl]methyl]-1(2H)-phthalazinone | 763111-47-3 | 1g | $55 | 2021-12-16 | Buy |
| AK Scientific | J50601 | 4-(4-Fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one | 763111-47-3 | 5g | $75 | 2021-12-16 | Buy |
| AK Scientific | J50601 | 4-(4-Fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one | 763111-47-3 | 1g | $25 | 2021-12-16 | Buy |
| AK Scientific | J11230 | OlaparibImpurity13 | 763111-47-3 | 25mg | $98 | 2021-12-16 | Buy |
| Ambeed | A510198 | 4-(4-Fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one 97% | 763111-47-3 | 10g | $153 | 2021-12-16 | Buy |
4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one Chemical Properties,Uses,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
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Capot Chemical Co.,Ltd. | +8613336195806 | sales@capot.com | China | 29734 | 60 |
| Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 | info@tianfuchem.com | China | 21620 | 55 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | factory@coreychem.com | China | 29800 | 58 |
| Zhengzhou Alfa Chemical Co.,Ltd | +8618530059196 | sale04@alfachem.cn | China | 12151 | 58 |
| ANHUI WITOP BIOTECH CO., LTD | +8615255079626 | eric@witopchemical.com | China | 23541 | 58 |
| AFINE CHEMICALS LIMITED | +86-0571-85134551 | sales@afinechem.com | China | 15144 | 58 |
| CR Corporation Limited | +8613062833949 | fred.wen@crcorporation.cn | China | 8647 | 58 |
| Hong Kong Tiansheng New Material Trading Co., Ltd | +8617320695765 | zxx@hktiansheng.com | China | 973 | 58 |
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418684 +8618949823763 | sales@tnjchem.com | China | 25356 | 58 |
| Henan Aochuang Chemical Co.,Ltd. | +86-0371-63689365 +8618638391208 | sales@aochuangchem.com | China | 9297 | 58 |
View Lastest Price from 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
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2025-08-29 | 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one
763111-47-3
|
US $0.00-0.00 / kg | 1kg | 99% | 1 | Jinan Ruitong Biotech Co., Ltd. | |
 |
2025-04-04 | 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one
763111-47-3
|
US $0.00-0.00 / KG | 1KG | 98% | 1ton | Henan Aochuang Chemical Co.,Ltd. | |
 |
2022-07-21 | 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one
763111-47-3
|
US $8.00 / KG | 1KG | 98% | 100KG | Hong Kong Tiansheng New Material Trading Co., Ltd |
-
- 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one
763111-47-3
- US $0.00-0.00 / kg
- 99%
- Jinan Ruitong Biotech Co., Ltd.
-
- 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one
763111-47-3
- US $0.00-0.00 / KG
- 98%
- Henan Aochuang Chemical Co.,Ltd.
-
- 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one
763111-47-3
- US $8.00 / KG
- 98%
- Hong Kong Tiansheng New Material Trading Co., Ltd
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