3-Iodo-1-methyl-1H-pyrazolo[3,4-B]pyridine

Base Information

• Chemical Name: 3-Iodo-1-methyl-1H-pyrazolo[3,4-B]pyridine
• CAS No.: 685522-76-3
• Molecular Formula: C7H6IN3
• Molecular Weight: 259.049
• DSSTox Substance ID: DTXSID20703485
• Nikkaji Number: J2.022.052J
• Wikidata: Q82635658
• Mol file: 685522-76-3.mol

Synonyms:3-IODO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE;685522-76-3;3-IODO-1-METHYLPYRAZOLO[3,4-B]PYRIDINE;SCHEMBL10063584;DTXSID20703485;SRUIXHHHURATSY-UHFFFAOYSA-N;MFCD08234758;MB05710;AS-50552;CS-0051319;1-Methyl-3-iodo-1H-pyrazolo[3,4-b]pyridine;P10565

Chemical Property of 3-Iodo-1-methyl-1H-pyrazolo[3,4-B]pyridine

Chemical Property:

• PSA: 30.71000
• LogP: 1.57290
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 258.96064
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

99%, ^*data from raw suppliers

3-Iodo-1-methyl-1H-pyrazolo[3,4-b]pyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=CC=N2)C(=N1)I

Technology Process of 3-Iodo-1-methyl-1H-pyrazolo[3,4-B]pyridine

There total 3 articles about 3-Iodo-1-methyl-1H-pyrazolo[3,4-B]pyridine 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: 70.0%

3-amino-1-methylpyrazolo<3,4-b>pyridine (72583-83-6) → 3-iodo-1-methyl-1H-pyrazolo[3,4-b]pyridine (685522-76-3)

Guidance literature:

3-amino-1-methylpyrazolo<3,4-b>pyridine; With sulfuric acid; sodium nitrite; In water; at 0 ℃; for 1.5h;

With potassium iodide; In water; at 0 - 20 ℃; Further stages.;

DOI:10.1016/j.tetlet.2004.01.067

Reference yield:

1H-Pyrazolo[3,4-b]pyridine (271-73-8) + methyl iodide (74-88-4) → 3-iodo-1-methyl-1H-pyrazolo[3,4-b]pyridine (685522-76-3)

Guidance literature:

1H-Pyrazolo[3,4-b]pyridine; With N-iodo-succinimide; In dichloromethane; at 100 ℃; for 2h; Inert atmosphere;

With potassium carbonate; In N,N-dimethyl-formamide; for 1h; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1039/c7cc04339b

Reference yield:

2-chloro-3-pyridinecarbonitrile (6602-54-6) → 3-iodo-1-methyl-1H-pyrazolo[3,4-b]pyridine (685522-76-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 93 percent / Cs₂CO₃; o-phenanthroline; CuI / dimethylformamide / 12 h / 60 °C

2.1: H₂SO₄; NaNO₂ / H₂O / 1.5 h / 0 °C

2.2: 70 percent / KI / H₂O / 0 - 20 °C

With copper(l) iodide; 1,10-Phenanthroline; sulfuric acid; caesium carbonate; sodium nitrite; In water; N,N-dimethyl-formamide;

DOI:10.1016/j.tetlet.2004.01.067

upstream raw materials:

3-amino-1-methylpyrazolo<3,4-b>pyridine

2-chloro-3-pyridinecarbonitrile

1H-Pyrazolo[3,4-b]pyridine

methyl iodide

Downstream raw materials:

3-(4-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-b]pyridine

1-methyl-3-phenyl-pyrazolo<3,4-b>pyridine

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