tert-Butyl 4-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperazine-1-carboxylate

CAS No.

763114-04-1

Synonyms

Olaparib Impurity 70; tert-Butyl 4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazine-1-carboxylate; also listed as 4-(2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoyl)-piperazine-1-carboxylate

Molecular formula

C25H27FN4O4

Molecular weight

466.50 g/mol

Grade

Reagent grade

Packaging

Aluminum foil laminate bag / Fiber drum with PE liner

Chemical Product Description & Applications

This Boc-protected olaparib intermediate combines the benzyl-linked phthalazinone scaffold with a monoacylated piperazine. The aromatic amide holds the piperazine at the required position, while the Boc group masks its second nitrogen. Removing that protecting group exposes the NH needed for the later cyclopropanecarbonyl introduction.

The selected material is the protected stage between initial amide coupling and terminal acylation. Its role is to prevent both piperazine nitrogens from reacting during attachment to the aromatic acid fragment. Separating coupling, deprotection and final acylation allows each nitrogen to receive a different carbonyl substituent. The existing phthalazinone and fluorinated ring remain intact through that staged assembly.

Typical Applications

  • Deprotected olaparib piperazine intermediate: Used in Boc-removal sequences to generate the monoacylated piperazine with a free NH for the next acylation step.
  • Unsymmetrical piperazine diamides: Used as a protected scaffold in routes that install different acyl groups on the two piperazine nitrogens, including olaparib and terminal-amide analogues.

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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TDS

Technical Data Sheet

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SDS

Safety Data Sheet

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