methyl 4-[5-[3,5-di-tert-butylphenyl]-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-3-yl]benzoate

Base Information

• Chemical Name: methyl 4-[5-[3,5-di-tert-butylphenyl]-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-3-yl]benzoate
• CAS No.: 1433497-65-4
• Molecular Formula: C₃₇H₄₄N₄O₃
• Molecular Weight: 592.781
• Mol file: 1433497-65-4.mol

Synonyms:methyl 4-[5-[3,5-di-tert-butylphenyl]-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-3-yl]benzoate

Chemical Property of methyl 4-[5-[3,5-di-tert-butylphenyl]-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-3-yl]benzoate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl 4-[5-[3,5-di-tert-butylphenyl]-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-3-yl]benzoate

There total 14 articles about methyl 4-[5-[3,5-di-tert-butylphenyl]-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-3-yl]benzoate 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: 84.0%

2-[3,5-bis(1,1-dimethylethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1071924-13-4) + methyl 4-[5-iodo-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-3-yl]benzoate (1433497-91-6) → methyl 4-[5-[3,5-di-tert-butylphenyl]-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-3-yl]benzoate (1433497-65-4)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In tetrahydrofuran; water; at 85 ℃; for 1h;

Reference yield:

methyl-4-(2-cyanoacetyl)benzoate (69316-08-1) → methyl 4-[5-[3,5-di-tert-butylphenyl]-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-3-yl]benzoate (1433497-65-4)

Guidance literature:

Multi-step reaction with 4 steps

1.1: methanol / Reflux

2.1: 1,1'-carbonyldiimidazole / tetrahydrofuran / 2.5 h / 15 °C / Reflux

2.2: 17 h / Reflux

3.1: copper(l) iodide; isopentyl nitrite / 49 h / 17 - 80 °C

4.1: bis-triphenylphosphine-palladium(II) chloride; potassium carbonate / tetrahydrofuran; water / 1 h / 85 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; potassium carbonate; 1,1'-carbonyldiimidazole; isopentyl nitrite; In tetrahydrofuran; methanol; water;

Reference yield:

methyl 4-[5-amino-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-3-yl]benzoate (1433497-90-5) → methyl 4-[5-[3,5-di-tert-butylphenyl]-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-3-yl]benzoate (1433497-65-4)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(l) iodide; isopentyl nitrite / 49 h / 17 - 80 °C

2: bis-triphenylphosphine-palladium(II) chloride; potassium carbonate / tetrahydrofuran; water / 1 h / 85 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; potassium carbonate; isopentyl nitrite; In tetrahydrofuran; water;

upstream raw materials:

1-methyl-piperazine

2-[3,5-bis(1,1-dimethylethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

methyl 4-[5-iodo-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-3-yl]benzoate

methyl-4-(2-cyanoacetyl)benzoate

Downstream raw materials:

4-[5-(3,5-di-tert-butylphenyl)-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-3-yl]benzoic acid