1-(tert-Butyl)-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Base Information

• Chemical Name: 1-(tert-Butyl)-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
• CAS No.: 221243-82-9
• Molecular Formula: C₁₉H₁₉N₅
• Molecular Weight: 317.393
• DSSTox Substance ID: DTXSID00274446
• Nikkaji Number: J1.083.591G
• Wikidata: Q27123369
• Pharos Ligand ID: P1PL1HQ2D3AQ
• Metabolomics Workbench ID: 58220
• ChEMBL ID: CHEMBL264406
• Mol file: 221243-82-9.mol

Synonyms:1-NA-PP1 compound;1-tert-butyl-3-naphthalen-1-ylpyrazolo(3,4-d)pyrimidin-4-amine

Chemical Property of 1-(tert-Butyl)-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Chemical Property:

• Appearance/Colour: White cyrstalline solid
• Vapor Pressure: 3.14E-11mmHg at 25°C
• Melting Point: 219-222 °C
• Refractive Index: 1.688
• Boiling Point: 527.8 °C at 760 mmHg
• Flash Point: 273 °C
• PSA: 69.62000
• Density: 1.27 g/cm³
• LogP: 4.56490
• Storage Temp.: Store at +4°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 317.16404563
• Heavy Atom Count: 24
• Complexity: 448

Purity/Quality:

99%, ^*data from raw suppliers

1-(tert-Butyl)-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=CC4=CC=CC=C43)N

Technology Process of 1-(tert-Butyl)-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

There total 12 articles about 1-(tert-Butyl)-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 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: 65.0%

3-bromo-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (862728-61-8) + 1-Naphthylboronic acid (13922-41-3) → 1-(tert-butyl)-3-(1-naphthyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (221243-82-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; water; Reflux; Inert atmosphere;

DOI:10.1039/c6md00675b

Reference yield:

2-(methoxy-naphthalen-1-yl-methylene)-malononitrile (221242-71-3) → 1-(tert-butyl)-3-(1-naphthyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (221243-82-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / ethanol / 1 h / Heating

2: 12 h / 180 °C

With triethylamine; In ethanol;

DOI:10.1021/ja983267v

Reference yield:

C15H12N2O + tertbutylhydrazine hydrochloride (7400-27-3) + formamide (77287-34-4,77287-35-5,60100-09-6) → 1-(tert-butyl)-3-(1-naphthyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (221243-82-9)

Guidance literature:

C₁₅H₁₂N₂O; tertbutylhydrazine hydrochloride; With triethylamine; In ethanol; for 3.5h; Reflux;

formamide; In ethanol; Reflux;

upstream raw materials:

formamide

5-amino-1-tert-butyl-3-naphthalen-1-yl-1H-pyrazole-4-carbonitrile

naphthalene-1-carbonic acid chloride

2-(methoxy-naphthalen-1-yl-methylene)-malononitrile

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