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

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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

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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.

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N-Bromosuccinimide Price

TRC

Product number: F594442
Product name: 4-[[4-Fluoro-3-(1-piperazinylcarbonyl)phenyl]methyl]-1(2H)-phthalazinone
Packaging: 1g
Price: $55
Updated: 2021/12/16

AK Scientific

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

AK Scientific

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

AK Scientific

Product number: J11230
Product name: OlaparibImpurity13
Packaging: 25mg
Price: $98
Updated: 2021/12/16

Ambeed

Product number: A510198
Product name: 4-(4-Fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one
Purity: 97%
Packaging: 10g
Price: $153
Updated: 2021/12/16

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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

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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

Jinan Ruitong Biotech Co., Ltd.

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

Henan Aochuang Chemical Co.,Ltd.

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

Hong Kong Tiansheng New Material Trading Co., Ltd

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

763111-47-3, 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-oneRelated Search:

Olaparib impurity 1 Olaparib Imp.2 2,2'-Oxybis(nitrobenzene) Olaparib Impurity 30 Olaparib Impurity 31 2-Propanone, 1-[4,5-dihydro-2-(4-methyl-1-piperazinyl)-4-thioxo-3H-1,5-benzodiazepin-3-ylidene]- Cyclopropanecarbonyl Chloride Olaparib Impurity 14 1-Hydroxybenzotriazole 1,1,3,3-Tetramethylurea 3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid Cyclopropanecarboxylic acid tert-Butyl 1-piperazinecarboxylate tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoyl)piperazine-1-carboxylate 2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzonitrile 5-Bromo-2-fluorobenzonitrile 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid

4-[4-Fluoro-3-(1-piperazinylcarbonyl)benzyl]-1(2H)-phthalazinone

4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one

1-[5-[(3,4-Dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine

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

Olaparib Descyclopropanecarbonyl Impurity

1(2H)-Phthalazinone, 4-[[4-fluoro-3-(1-piperazinylcarbonyl)phenyl]methyl]-

N-Descyclopropanecarbaldehyde Olaparib

4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)Phthalazin-1(2H)...

Olapali impurity 15

4-(4-Fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one (Olaparib Impurity)

763111-47-3