RX-518

Base Information

• Chemical Name: RX-518
• CAS No.: 1660963-42-7
• Molecular Formula: C29H28F2N6O2
• Molecular Weight: 530.57
• Mol file: 1660963-42-7.mol

Synonyms:RX-518;N-(3-(2-((2,3-Difluoro-4-(4-(2-hydroxyethyl)piperazin-1-yl)phenyl)amino)quinazolin-8-yl)phenyl)acrylamide

Chemical Property of RX-518

Chemical Property:

• PKA: 13.28±0.70(Predicted)
• PSA: 93.62000
• Density: 1.350±0.06 g/cm3(Predicted)
• LogP: 4.70630

Purity/Quality:

97% ^*data from raw suppliers

RX518(CK-101) >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of RX-518

There total 11 articles about RX-518 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: 9.5%

N-(3-(2-chloroquinazolin-8-yl)phenyl)acrylamide + 2-(4-(4-amino-2,3-difluorophenyl)piperazin-1-yl)ethanol → N-(3-(2-((2,3-difluoro-4-(4-(2-hydroxyethyl)piperazin-1-yl)phenyl)amino)quinazolin-8-yl)phenyl)acrylamide (1660963-42-7)

Guidance literature:

With trifluoroacetic acid; In butan-1-ol; at 90 ℃;

Reference yield:

8-bromo-2-chloroquinazoline (956100-63-3) → N-(3-(2-((2,3-difluoro-4-(4-(2-hydroxyethyl)piperazin-1-yl)phenyl)amino)quinazolin-8-yl)phenyl)acrylamide (1660963-42-7)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 12 h / 80 °C / Inert atmosphere

2: triethylamine / dichloromethane / 1 h / 20 °C

3: trifluoroacetic acid / butan-1-ol / 90 °C

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; triethylamine; trifluoroacetic acid; In 1,4-dioxane; dichloromethane; water; butan-1-ol;

Reference yield:

1-(2-hydroxyethyl)piperazine (103-76-4) → N-(3-(2-((2,3-difluoro-4-(4-(2-hydroxyethyl)piperazin-1-yl)phenyl)amino)quinazolin-8-yl)phenyl)acrylamide (1660963-42-7)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide / 0 - 20 °C

2: palladium on activated charcoal; hydrogen / methanol / 20 °C

3: trifluoroacetic acid / butan-1-ol / 90 °C

With palladium on activated charcoal; hydrogen; potassium carbonate; trifluoroacetic acid; In methanol; N,N-dimethyl-formamide; butan-1-ol;

upstream raw materials:

8-bromo-2,4-dichloroquinazoline

8-bromo-2-chloroquinazolin-4-amine

8-bromo-2-chloroquinazoline

1-(2-hydroxyethyl)piperazine