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

CAS No.

763114-26-7

Synonyms

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

Molecular formula

C16H11FN2O3

Molecular weight

298.27 g/mol

Grade

Reagent grade

Packaging

Aluminum foil laminate bag / Fiber drum with PE liner

Chemical Product Description & Applications

2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid is a key acid fragment in olaparib synthesis. It supplies the benzyl-linked phthalazinone scaffold and a carboxyl group for amide attachment. The fluorine and benzylic connection are already positioned, leaving the acid functionality as the main handle for assembly of the piperazine-containing portion.

This free acid can be coupled either to a protected piperazine or to an already monoacylated piperazine, depending on the synthetic sequence. Those alternatives change when the terminal cyclopropanecarbonyl group is introduced. The intermediate therefore functions as both a preassembled heteroaromatic scaffold and an acyl donor, allowing variation of the attached amine without rebuilding the fused ring system.

Typical Applications

  • Protected-piperazine olaparib routes: Used in amide coupling with a mono-protected piperazine, followed by deprotection and introduction of the terminal cyclopropanecarbonyl group.
  • Convergent olaparib coupling: Used with cyclopropanecarbonylpiperazine to connect two advanced fragments in one amide-forming step, completing the required piperazine diamide pattern.

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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CoA

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TDS

Technical Data Sheet

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SDS

Safety Data Sheet

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