2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile

I. Core Pharmaceutical Application: Key Intermediate for Olaparib Synthesis

1. This product is an important intermediate in the synthetic route of Olaparib (AZD2281), obtained by condensation of the precursor 2-fluoro-5-formylbenzonitrile (CAS 218301-22-5) with phthalic anhydride derivatives. It provides the fluorinated benzene-isobenzofuranone core fragment for the Olaparib molecule.
2. Through subsequent cyclization, hydrolysis, substitution and other reactions, this product can be converted into 2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid, a key intermediate of Olaparib, directly supporting the industrial production of this PARP inhibitor API.
3. The synergistic effect of the fluorine atom, cyano group and isobenzofuranone ring in its structure ensures reaction selectivity and yield, reduces impurity formation, and guarantees the purity and efficacy of Olaparib API.

II. Other Pharmaceutical-Related Applications

1. General Building Block for PARP Inhibitor R&D: As a fluorinated isobenzofuranone derivative, it can be used for structural modification and synthesis of other PARP inhibitors (such as AZD2461), adapting to the molecular framework construction and process optimization of such targeted anti-cancer drugs.
2. Raw Material for Heterocyclic Drug Synthesis: It can construct nitrogen-containing heterocycles such as phthalazine, quinoline and isoquinoline through cyclization, condensation, hydrolysis and other reactions, which are applied in the laboratory R&D and structural optimization of small-molecule drugs for anti-tumor, anti-inflammatory, neurological diseases and other indications.
3. Structural Modification of Drug Molecules: As an aromatic ring side chain/linker fragment, its introduction into drug molecules can enhance target binding affinity, improve lipid-water partition coefficient and metabolic stability, and is widely used in the structural modification of anti-cancer and anti-inflammatory drugs.

III. General Organic Synthesis Applications

1. Building Block for Fluorinated Aromatic Heterocyclic Compounds: With multiple reactive sites including fluorine atom, cyano group and isobenzofuranone ring, it can undergo various reactions such as reduction, oxidation, condensation, addition and cyclization. It is a general raw material for preparing various fluorinated aromatic fine chemicals, pharmaceutical intermediates and pesticide intermediates.
2. Precursor for Functional Materials and Organic Ligands: It can be used as a core raw material for the synthesis of fluorescent materials, organic catalytic ligands and dye intermediates, expanding its applications in materials science and organic catalysis.
3. Construction of Heterocyclic Compounds: Used for the synthesis of nitrogen/oxygen heterocyclic compounds such as isobenzofuranone, phthalazine and pyrazole, supporting basic research in organic synthetic chemistry and the construction of new drug molecular libraries.

Contact information:

Contact: Sophia Li

Email: sophia@coreychem.com