C₃₁H₃₀F₃N₉O

Base Information

• Chemical Name: C₃₁H₃₀F₃N₉O
• CAS No.: 1408000-27-0
• Molecular Formula: C₃₁H₃₀F₃N₉O
• Molecular Weight: 601.634
• Mol file: 1408000-27-0.mol

Synonyms:C₃₁H₃₀F₃N₉O

Chemical Property of C₃₁H₃₀F₃N₉O

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₃₁H₃₀F₃N₉O

There total 5 articles about C₃₁H₃₀F₃N₉O 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: 25.0%

5-ethynyl-1H-pyrazolo[3,4-b]pyridine (1207351-15-2) + C23H25F3N6O (1408000-61-2) → C31H30F3N9O (1408000-27-0)

Guidance literature:

With copper(II) sulfate; sodium L-ascorbate; In water; tert-butyl alcohol; at 90 ℃;

Reference yield:

3-azido-4-cyclopropyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide (1408000-66-7) → C31H30F3N9O (1408000-27-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium tert-butylate / tetrahydrofuran / 9 h / -20 - 20 °C

2: copper(II) sulfate; sodium L-ascorbate / water; tert-butyl alcohol / 90 °C

With potassium tert-butylate; copper(II) sulfate; sodium L-ascorbate; In tetrahydrofuran; water; tert-butyl alcohol; 2: |Sonogashira Cross-Coupling;

DOI:10.1021/jm301188x

Reference yield:

methyl 4-bromo-3-nitrobenzoate (2363-16-8) → C31H30F3N9O (1408000-27-0)

Guidance literature:

Multi-step reaction with 4 steps

1.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium phosphate / 1,4-dioxane / 90 °C / Inert atmosphere

2.1: trifluoroacetic acid; ammonium chloride; triethylamine / water; tetrahydrofuran

2.2: 3 h / Reflux

3.1: potassium tert-butylate / tetrahydrofuran / 9 h / -20 - 20 °C

4.1: copper(II) sulfate; sodium L-ascorbate / water; tert-butyl alcohol / 90 °C

With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium tert-butylate; ammonium chloride; copper(II) sulfate; sodium L-ascorbate; triethylamine; trifluoroacetic acid; In tetrahydrofuran; 1,4-dioxane; water; tert-butyl alcohol; 4.1: |Sonogashira Cross-Coupling;

DOI:10.1021/jm301188x

upstream raw materials:

5-bromo-7-azaindazole

3-azido-4-cyclopropyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide

5-ethynyl-1H-pyrazolo[3,4-b]pyridine

C₂₃H₂₅F₃N₆O