2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid Chemical Properties

Density 

1.42

storage temp. 

Sealed in dry,Room Temperature

pka

3.19±0.10(Predicted)

form 

powder

color 

White to off-white

InChI

InChI=1S/C16H11FN2O3/c17-13-6-5-9(7-12(13)16(21)22)8-14-10-3-1-2-4-11(10)15(20)19-18-14/h1-7H,8H2,(H,19,20)(H,21,22)

InChIKey

PAXLJNGPFJEKQX-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC(CC2C3=C(C=CC=C3)C(=O)NN=2)=CC=C1F

Safety Information

HS Code 

2916399090

2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid Usage And Synthesis

Uses

2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoic Acid is an intermediate used in the synthesis of phthalazinone scaffolds that are potent inhibitors of poly(ADP-ribose) polymerase, and also in the design of isocorydine derivatives with anticancer effect.

Application

2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoic Acid is an intermediate in the synthesis of olaparib. Olaparib is a PARP polymerase inhibitor.

Synthesis

Compound 3 (2.6g, 0.011mol)And 2-fluoro-5-formylbenzoic acid (2.1g, 0.012mol)Dissolved in anhydrous tetrahydrofuran (25ml), cooled to 0 ,Slowly add triethylamine (1.0ml, 0.007mol) dropwise, then warm up to room temperature for 5h, then slowly raise the temperature to 70 , add hydrazine hydrate (5.1ml, 0.107mol) for 3h, and drop to room temperature , Add appropriate amount of hydrochloric acid (2mol / L) to adjust the pH to acidic, no longer precipitate solids. Filter with suction, wash the product with water and ethyl acetate, and dry to obtain a yellow solid (1.9g, yield 83%)

2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid(763114-26-7)Related Product Information

• 2-Methyl-2,4-pentanediol
• Cyclopentanone
• 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
• 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid
• Olaparib
• CIS-BICYCLO[3.3.0]OCTANE-3,7-DIONE
• TERT-BUTYL 2,4-DIOXOPIPERIDINE-1-CARBOXYLATE
• 2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzonitrile
• Veliparib
• Piperazine, 1-(cyclopropylcarbonyl)-, Monohydrochloride
• Olaparib Impurity 12
• Olaparib Impurity 29
• Olaparib Impurity 32
• Olaparib Impurity 27
• Olaparib Impurity 21
• Olaparib Impurity 23
• Olaparib Impurity 24
• Olaparib Impurity 28