4-[4-Fluoro-3-(piperazine-1-carbonyl)benzyl]phthalazin-1(2H)-one

CAS No.

763111-47-3

Synonyms

N-Descyclopropanecarbaldehyde olaparib; 1-[5-[(3,4-Dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine; also listed as 4-(4-Fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one

Molecular formula

C20H19FN4O2

Molecular weight

366.39 g/mol

Grade

Reagent grade

Packaging

Aluminum foil laminate bag / Fiber drum with PE liner

Chemical Product Description & Applications

4-[4-Fluoro-3-(piperazine-1-carbonyl)benzyl]phthalazin-1(2H)-one is a late-stage olaparib intermediate with one piperazine nitrogen already attached to the aromatic acid fragment. The remaining piperazine NH provides a selective acylation site, while the benzyl-linked phthalazinone and fluorobenzoyl portions transfer the assembled molecular framework into the final step.

The material is the deprotected piperazine intermediate, positioned after removal of a temporary nitrogen-protecting group. Introducing a cyclopropanecarbonyl group at the available NH completes the olaparib acyl pattern. Other acyl reagents can modify the same site in analogue synthesis, making this intermediate a defined branch point for changing the terminal amide without rebuilding the phthalazinone scaffold.

Typical Applications

  • Final olaparib acylation: Used as the free-piperazine substrate in reaction with a cyclopropanecarbonyl reagent, installing the terminal amide on the previously unacylated nitrogen.
  • Terminal-amide analogue synthesis: Used with alternative acyl donors to prepare related piperazine diamides, varying the terminal acyl fragment while retaining the phthalazinone–fluorobenzoyl framework.

Specifications

Parameter Specification Test Method
Appearance Solid; color consistent with the reference sample Visual inspection
Identification Consistent with authenticated reference FTIR fingerprint comparison
Chromatographic purity ≥98.0 area% HPLC with suitable UV or CAD detection
Total organic impurities ≤2.0 area% HPLC, area normalization
Largest individual impurity ≤1.0 area% HPLC, area normalization
Water ≤1.0% w/w Karl Fischer titration

Specifications describe the standard grade. Tolerance, test method and documentation package are confirmed per order.

Documents & Handling

Packaging

Aluminum foil laminate bag / Fiber drum with PE liner

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SDS

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