2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid

Base Information

• Chemical Name: 2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid
• CAS No.: 763114-26-7
• Molecular Formula: C16H11FN2O3
• Molecular Weight: 298.273
• Hs Code.: 2933990090
• Mol file: 763114-26-7.mol

Synonyms:2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid

Chemical Property of 2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid

Chemical Property:

• PKA: 3.19±0.10(Predicted)
• PSA: 83.31000
• Density: 1.42
• LogP: 2.76350
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99%, ^*data from raw suppliers

2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• 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.

Technology Process of 2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid

There total 40 articles about 2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.1%

4-(3-bromo-4-fluorobenzyl)phthalazin-1(2H)-one (1062292-60-7) + carbon dioxide (124-38-9,18923-20-1) → 2-fluoro-5-[(4’-oxo-3’H-phthalazin-1’-yl)methyl]benzoic acid (763114-26-7)

Guidance literature:

4-(3-bromo-4-fluorobenzyl)phthalazin-1(2H)-one; With n-butyllithium; In diethyl ether; hexane; at -40 - -30 ℃; for 0.5h;

carbon dioxide; In diethyl ether; hexane; for 0.333333h;

With hydrogenchloride; In water; at 20 ℃; for 0.5h; Temperature;

Reference yield: 95.0%

methyl 2-fluoro-5-(3-oxo-3H-isobenzofuran-1-ylmethylene)benzoate → 2-fluoro-5-[(4’-oxo-3’H-phthalazin-1’-yl)methyl]benzoic acid (763114-26-7)

Guidance literature:

methyl 2-fluoro-5-(3-oxo-3H-isobenzofuran-1-ylmethylene)benzoate; With hydrazine hydrate; In tetrahydrofuran; water; at 8 - 25 ℃; for 4h;

With sodium hydroxide; In tetrahydrofuran; water; acetone; at 40 ℃; for 3.3h;

Reference yield: 93.0%

methyl 2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoate → 2-fluoro-5-[(4’-oxo-3’H-phthalazin-1’-yl)methyl]benzoic acid (763114-26-7)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃;

upstream raw materials:

(Z)-2-fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrle

2-fluoro-5-[(E)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile

methyl phosphite

o-carboxybenzaldehyde

Downstream raw materials:

4-[[4-fluoro-3-[(hexahydro-1H-1,4-diazepin-1-yl)carbonyl]phenyl]methyl]-1(2H)-phthalazinone

1-[3-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoyl]piperidin-4-carboxylic acid methyl ester

3-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)phenyl)-5-methyl-1-(2-(pyrrolidin-1-yl)ethyl)imidazolidine-2,4-dione

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