2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzonitrile

CAS No.

1021298-68-9

Synonyms

5-[(3,4-Dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzonitrile; also listed as 2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzonitrile

Molecular formula

C16H10FN3O

Molecular weight

279.27 g/mol

Grade

Reagent grade

Packaging

Sealed PE bag / Fiber drum with PE liner

Chemical Product Description & Applications

2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzonitrile is a nitrile-stage intermediate in olaparib synthesis. It supplies the preformed benzyl-linked phthalazinone scaffold and a nitrile that can be converted into the corresponding carboxylic acid. The fluorinated aromatic ring fixes the position where the piperazine-containing amide is introduced later.

The selected compound precedes acid formation and piperazine coupling. Its nitrile acts as a carboxyl precursor while the phthalazinone ring is already constructed, separating heterocycle formation from final amide assembly. This sequence makes the material relevant to routes that introduce the aromatic acid functionality after the fused ring system has been established, rather than starting directly from the acid intermediate.

Typical Applications

  • Olaparib acid-intermediate production: Used in nitrile-hydrolysis sequences to obtain the fluorinated phthalazinonylmethyl benzoic acid needed for downstream piperazine amide coupling.
  • Phthalazinone carboxamide analogues: Used as a common nitrile-stage scaffold before conversion to acid derivatives and coupling with alternative amines in synthesis of related phthalazinone compounds.

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

Sealed PE bag / Fiber drum with PE liner

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TDS

Technical Data Sheet

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SDS

Safety Data Sheet

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