AZD2461

Base Information

• Chemical Name: AZD2461
• CAS No.: 1174043-16-3
• Molecular Formula: C22H22FN3O3
• Molecular Weight: 395.433
• Mol file: 1174043-16-3.mol

Synonyms:4-(4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one;

Chemical Property of AZD2461

Chemical Property:

• PKA: 12.07±0.40(Predicted)
• PSA: 75.55000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 3.25420
• Storage Temp.: 2-8°C
• Solubility.: insoluble in H2O; ≥16.35 mg/mL in DMSO; ≥45.2 mg/mL in EtOH with ultrasonic

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-[4-Fluoro-3-[(4-methoxypiperidin-1-yl)carbonyl]benzyl]phthalazin-1(2H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-[4-Fluoro-3-[(4-methoxypiperidin-1-yl)carbonyl]benzyl]phthalazin-1(2H)-one is a phthalazinone derivative and potential PARP inhibitor.

Technology Process of AZD2461

There total 2 articles about AZD2461 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: 72.9%

2-fluoro-5-[(4’-oxo-3’H-phthalazin-1’-yl)methyl]benzoic acid (763114-26-7) + 4-methoxypiperidine hydrochloride (4045-25-4) → 4-[[4-fluoro-3-[(4-methoxy-1-piperidinyl)carbonyl]phenyl]methyl]-1(2H)-phthalazinone (1174043-16-3)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 - 23 ℃; Product distribution / selectivity;

Reference yield: 61.6%

2-fluoro-5-[(4’-oxo-3’H-phthalazin-1’-yl)methyl]benzoic acid (763114-26-7) + 4-methoxypiperidine (4045-24-3) → 4-[[4-fluoro-3-[(4-methoxy-1-piperidinyl)carbonyl]phenyl]methyl]-1(2H)-phthalazinone (1174043-16-3)

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; In DMA; at 20 ℃; for 21h; Product distribution / selectivity;

upstream raw materials:

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

4-methoxypiperidine

4-methoxypiperidine hydrochloride

Refernces

• 1、 -. "PHTHALAZINONE DERIVATIVES". Page/Page column 66. . Retrieved 2009/08/14.