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ChemicalBook--->CAS DataBase List--->763114-26-7

763114-26-7

763114-26-7 Structure

763114-26-7 Structure
IdentificationBack Directory
[Name]

2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid
[CAS]

763114-26-7
[Synonyms]

EOS-61877
Olapali impurity 25
Olaparib Intermediate 1
Olaparib intermediate 763114-26-7
2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)
2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)
2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)be
2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylm ethyl)benzo
2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)Methyl]benzoic acid
2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoic a...
2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoicaci
2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-yl)methyl] benzoic acid
-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid
2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid
2-Fluoro-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoic Acid
5-[(3,4-Dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluoro-Benzoic acid
Benzoic acid, 5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluoro-
(2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylMethyl)benzoic acid)763114-26-7
C16H11FN2O3 2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid 763114-26-7
[EINECS(EC#)]

800-110-6
[Molecular Formula]

C16H11FN2O3
[MDL Number]

MFCD14636678
[MOL File]

763114-26-7.mol
[Molecular Weight]

298.269
Chemical PropertiesBack Directory
[density ]

1.42
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder
[pka]

3.19±0.10(Predicted)
[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 DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280
[HS Code ]

2916399090
Hazard InformationBack Directory
[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]

Synthesis_763114-26-7
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%)
Spectrum DetailBack Directory
[Spectrum Detail]

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