4-Amino-1-(1-Boc-pyrrolidin-3-yl)-1H-pyrazole

Base Information

• Chemical Name: 4-Amino-1-(1-Boc-pyrrolidin-3-yl)-1H-pyrazole
• CAS No.: 1029413-53-3
• Molecular Formula: C12H20N4O2
• Molecular Weight: 252.3128
• Hs Code.: 2933990090
• Mol file: 1029413-53-3.mol

Synonyms:4-Amino-1-(1-Boc-pyrrolidin-3-yl)-1H-pyrazole;tert-butyl3-(4-amino-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate

Chemical Property of 4-Amino-1-(1-Boc-pyrrolidin-3-yl)-1H-pyrazole

Chemical Property:

• Boiling Point: 412.9±35.0 °C(Predicted)
• PKA: 4.29±0.19(Predicted)
• PSA: 73.38000
• Density: 1.27±0.1 g/cm3(Predicted)
• LogP: 2.16630
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

99%, ^*data from raw suppliers

4-Amino-1-(1-boc-pyrrolidin-3-yl)-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-Amino-1-(1-boc-pyrrolidin-3-yl)-1h-pyrazole is a pyrazolamine derivative that can be prepared by alkylation of nitropyrazole with alcohol and subsequent reduction.

Technology Process of 4-Amino-1-(1-Boc-pyrrolidin-3-yl)-1H-pyrazole

There total 6 articles about 4-Amino-1-(1-Boc-pyrrolidin-3-yl)-1H-pyrazole 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: 94.0%

tert-butyl 3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate (1056024-38-4) → tert-butyl 3-(4-amino-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate (1029413-53-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2008.02.169

Reference yield:

N-(tert-butoxycarbonyl)-3-hydroxypyrrolidine (103057-44-9,83220-73-9) → tert-butyl 3-(4-amino-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate (1029413-53-3)

Guidance literature:

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 3-(4-amino-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate (1029413-53-3)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / dichloromethane / 3 h / 20 °C

2: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 0 - 20 °C

3: hydrogen; palladium 10% on activated carbon / ethanol / 20 °C

With di-isopropyl azodicarboxylate; palladium 10% on activated carbon; hydrogen; triethylamine; triphenylphosphine; In tetrahydrofuran; ethanol; dichloromethane;

upstream raw materials:

tert-butyl 3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate

N-(tert-butoxycarbonyl)-3-hydroxypyrrolidine

di-tert-butyl dicarbonate

tert-butyldicarbonate

Downstream raw materials:

C₂₂H₂₃N₉O₂

N-{3-[(2-{[1-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]amino}-9-{[2-(trimethylsilyl)ethoxy]methyl}-9H-purin-6-yl)oxy]phenyl}prop-2-enamide

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