2-Fluoro-5-[(3-oxoisobenzofuran-1(3H)-ylidene)methyl]benzonitrile

CAS No.

763114-25-6

Synonyms

2-Fluoro-5-(3-oxo-3H-isobenzofuran-1-ylidenemethyl)benzonitrile; also listed as 2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile

Molecular formula

C16H8FNO2

Molecular weight

265.24 g/mol

Grade

Reagent grade

Packaging

Sealed PE bag / Fiber drum with PE liner

Chemical Product Description & Applications

This fluorobenzonitrile-substituted benzylidene phthalide is an unsaturated lactone intermediate used before formation of the olaparib phthalazinone ring. The exocyclic alkene establishes the connection between two aromatic fragments, while the lactone provides the carbonyl framework for nitrogen-ring construction. The pendant nitrile retains a masked carboxyl functionality for later conversion.

The selected compound belongs to the ring-conversion stage, rather than the final piperazine-coupling stage. Reaction with a suitable nitrogen source transforms the phthalide-derived framework into the benzyl-linked phthalazinone structure. Nitrile hydrolysis can then supply the aromatic acid needed downstream. These distinct transformations separate construction of the fused heterocycle from installation of the terminal amide fragment.

Typical Applications

  • Phthalazinone-ring synthesis: Used in hydrazine-mediated conversion of the benzylidene lactone into a phthalazinone intermediate, preserving the fluorinated benzonitrile substituent.
  • Olaparib aromatic-acid precursor production: Used upstream of the acid fragment in sequences that combine heterocycle formation with subsequent nitrile conversion before piperazine amide assembly.

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

What You Get With This Product

【待客户提供:本产品可公开的批次 CoA、TDS、SDS;按产品名或 CAS 命名的 PDF,用于本页文档申请区】

CoA

Certificate of Analysis

【待客户提供:本产品 CoA 样本;包含批号、检测项目、限度、结果和方法的 PDF,用于质量文件展示】

TDS

Technical Data Sheet

【待客户提供:本产品 TDS;包含典型性质、等级与技术指标的 PDF,用于技术参数确认】

SDS

Safety Data Sheet

【待客户提供:本产品 SDS;包含 GHS 分类、操作与运输要求的 PDF,用于安全文件确认】

【待客户提供:本产品储存条件、保质期与特殊运输要求;经确认的文字或 SDS/TDS,用于储运说明】

Tell Us What You Need.

Product Inquiry

Send the product name, required quantity and specification. We reply with availability, documentation and the next step.

Inquiry

Request a Quote

Send the product name or CAS number, required quantity and specification. Availability, document scope and next steps are confirmed for your request.

Prefer WhatsApp? +86 152 4962 7274