AZD3514

Base Information

• Chemical Name: AZD3514
• CAS No.: 1240299-33-5
• Molecular Formula: C25H32F3N7O2
• Molecular Weight: 519.57
• Mol file: 1240299-33-5.mol

Synonyms:S7040,AZD 3514;6-(4-{4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl}piperidin-1-yl)-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine;1-(4-(2-(4-(1-(3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl)phenoxy)ethyl)piperazin-1-yl)ethanone;1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-1-yl]ethanone;AZD3514;

Chemical Property of AZD3514

Chemical Property:

• Appearance/Colour: White to off-white solid
• Boiling Point: 669.5±65.0 °C(Predicted)
• PKA: 6.31±0.10(Predicted)
• PSA: 79.09000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 2.07650
• Solubility.: ≥24.45 mg/mL in DMSO; insoluble in H2O; ≥46.4 mg/mL in EtOH

Purity/Quality:

98% min ^*data from raw suppliers

AZD-3514 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of AZD3514

There total 13 articles about AZD3514 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: 88.0%

1-(4-(2-(4-(1-(3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]-pyridazin-6-yl)piperidin-4-yl)phenoxy)ethyl)piperazin-1-yl)-ethanone (1166819-37-9) → 1-(4-(2-(4-(1-(3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl)phenoxy)ethyl)piperazin-1-yl)ethanone (1240299-33-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 22 - 50 ℃; for 10h; under 3750.38 Torr; Autoclave;

DOI:10.1016/j.bmcl.2013.02.056

Reference yield: 88.0%

6-[4-[4-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine (1166819-39-1) → 1-(4-(2-(4-(1-(3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl)phenoxy)ethyl)piperazin-1-yl)ethanone (1240299-33-5)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 50 ℃; for 10h; under 3750.38 Torr; Product distribution / selectivity; Autoclave;

Reference yield: 49.0%

6-[4-[4-[2-(piperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (1240300-05-3) + acetyl chloride (75-36-5) → 1-(4-(2-(4-(1-(3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl)phenoxy)ethyl)piperazin-1-yl)ethanone (1240299-33-5)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 25 ℃; Inert atmosphere;

upstream raw materials:

6-[4-[4-[2-(piperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

acetyl chloride

6-[4-[4-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

1-(4-(2-(4-(1-(3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]-pyridazin-6-yl)piperidin-4-yl)phenoxy)ethyl)piperazin-1-yl)-ethanone

Downstream raw materials:

6-(4-{4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl}piperidin-1-yl)-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine maleate

6-(4-{4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl}piperidin-1-yl)-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine fumarate

6-(4-{4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl}piperidin-1-yl)-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine napadisylate

Refernces

• 1、 -. "TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER". Page/Page column 78. . Retrieved 2010/09/03.