1062292-60-7

Basic information

• Product Name: 4-(3-bromo-4-fluorobenzyl)phthalazin-1(2H)-one
• Synonyms: 4-(3-bromo-4-fluorobenzyl)phthalazin-1(2H)-one
• CAS NO: 1062292-60-7
• Molecular Weight: 333.16
• Mol File: 1062292-60-7.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: 4-(3-bromo-4-fluorobenzyl)phthalazin-1(2H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(3-bromo-4-fluorobenzyl)phthalazin-1(2H)-one(1062292-60-7)
• EPA Substance Registry System: 4-(3-bromo-4-fluorobenzyl)phthalazin-1(2H)-one(1062292-60-7)

Safety Data

• Hazardous Substances Data: 1062292-60-7(Hazardous Substances Data)

Usage

General Description

4-(3-bromo-4-fluorobenzyl)phthalazin-1(2H)-one is a chemical compound with the molecular formula C15H9BrFNO. It belongs to the class of phthalazine derivatives and is used in various organic synthesis and pharmaceutical processes. 4-(3-bromo-4-fluorobenzyl)phthalazin-1(2H)-one is a white to light yellow solid with a high melting point. It is known for its potential biological activities and is used in medicinal chemistry for drug discovery and development. The presence of bromine and fluorine atoms in the benzyl group suggests its potential use as a substrate for further modification to create novel pharmaceutical compounds with desirable properties.

Upstream product

• 194019-11-9 2-(3-bromo-4-fluorophenyl)acetic acid 
• 85-44-9 phthalic anhydride 
• 87-41-2 2-benzofuran-1(3H)-one 
• 77771-02-9 3-bromo-4-fluorobenzaldehyde 
• 98-88-4 benzoyl chloride 
• 811842-30-5 2-bromo-1-fluoro-4-iodobenzene 
• 88-67-5 2-Iodobenzoic acid 
• 33757-48-1 N-quinolin-8-yl-benzamide 
• 1035265-80-5 ((3-bromo-4-fluorophenyl)ethynyl)trimethylsilane 
• 918487-39-5 2-bromo-4-ethynyl-1-fluorobenzene 
• 63964-50-1 2-fluoro-5-(3-oxo-3H-isobenzofuran-1-ylmethylene)-1-bromobenzene 
• 61260-15-9 dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate 
• 119-67-5 o-carboxybenzaldehyde 

Downstream Products

• 1062288-06-5 C₁₉H₁₃FN₂OS 
• 1062292-76-5 4-(3'-amino-6-fluoro-biphenyl-3-ylmethyl)-2H-phthalazin-1-one 
• 1062292-75-4 2'-fluoro-5'-(4-oxo-3,4-dihydro-phthalazin-1-ylmethyl)-biphenyl-3-carboxylic acid 
• 1062288-37-2 4-(4'-amino-6-fluoro-biphenyl-3-ylmethyl)-2H-phthalazin-1-one 
• 1062292-93-6 5-[2-fluoro-5-(4-oxo-3,4-dihydro-phthalazin-1-ylmethyl)-phenyl]-furan-2-carbaldehyde 
• 1062292-84-5 2'-fluoro-5'-(4-oxo-3,4-dihydro-phthalazin-1-ylmethyl)-biphenyl-4-carboxylic acid 
• 1422374-59-1 C₂₃⁽¹⁴⁾CH₂₃FN₄O₃ 
• 763113-22-0 olaparib 
• 1415139-62-6 4-(3-(1-benzyl-4-oxido-1,4-azaphosphinan-4-yl)-4-fluorobenzyl)phthalazin-1(2H)-one 
• 1622398-78-0 [¹³C]-4-(3-(4-(cyclopropanecarbonyl)piperazine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one 
• 1062289-51-3 C₂₃H₁₈FN₃O₂ 
• 1062290-45-2 C₂₅H₂₀FN₃O₂ 
• 1062291-04-6 C₂₇H₂₀FN₃O₃S 
• 1062289-93-3 C₂₇H₂₀FN₃O₃S 

Relevant articles and documents

Preparation method of olaparib key intermediate

The invention provides a preparation method of an olaparib key intermediates 4-(3-bromo-4-fluorobenzyl)phthalazin-1(2H)-one (a compound shown as a formula IV) and 2-fluoro-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoic acid (a compound shown as a formula V). Specifically, (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonic acid dimethyl ester is used as a raw material to be subjected to a Wittig-Horner reaction with 3-bromo-4-fluorobenzaldehyde to obtain a formula III, the formula III and hydrazine hydrate are subjected to cyclization to obtain a formula IV, and the formula IV is subjected toa reaction with n-butyllithium and carbon dioxide to obtain an olaparib intermediate V. The method is economical and environment-friendly, and the yield is greatly improved.

Olaparib refining method

The invention discloses an olaparib refining method, which comprises: (1) dissolving an olaparib crude product in a mixed solvent of ethyl acetate and acetone, and controlling the temperature at 45-50DEG C until olaparib is completely dissolved; (2) adding active carbon, decolorizing, filtering, cooling the filtrate to a temperature of -10-0 DEG C, crystallizing, and growing the crystal; and (3)filtering, washing the filtered solid by using acetone, and carrying out vacuum drying to obtain the refined olaparib. With the refining method of the present invention, the purity of the obtained olaparib can reach more than 99.9%, the total impurity and the single impurity are respectively controlled within 0.1% and 0.05%, the quality of the product is remarkably improved, the refining process is easy to operate, and the refining method is suitable for industrial production.

Process for the Preparation of Olaparib and Intermediates Thereof

The present invention provides processes for the preparation of intermediate compounds of formulas (4) and (5) useful in the preparation of Olaparib. (X is chloride, bromide or iodide)