5-Nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

Base Information

• Chemical Name: 5-Nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
• CAS No.: 150187-64-7
• Molecular Formula: C₁₂H₁₃N₃O₃
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID30569059
• Nikkaji Number: J2.760.054I
• Mol file: 150187-64-7.mol

Synonyms:5-Nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole;150187-64-7;5-nitro-1-(oxan-2-yl)indazole;5-Nitro-1-(oxan-2-yl)-1H-indazole;1H-Indazole, 5-nitro-1-(tetrahydro-2H-pyran-2-yl)-;1-(Tetrahydro-2H-pyran-2-yl)-5-nitro-1H-indazole;SCHEMBL5413224;DTXSID30569059;CXFMGDIFPKDLMQ-UHFFFAOYSA-N;MFCD19443355;AKOS016003367;BS-49660;CS-0328674;Y10440;5-nitro-1-tetrahydro-2H-pyran-2-yl-1H-indazole;A920059;5-nitro-1-(tetrahydro-2H-pyran-2-yl)-IH-indazole

Chemical Property of 5-Nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 247.09569129
• Heavy Atom Count: 18
• Complexity: 320

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCOC(C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2

Technology Process of 5-Nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

There total 4 articles about 5-Nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole 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: 100.0%

3,4-dihydro-2H-pyran (110-87-2) + 5-nitroindazole (5401-94-5) → 5-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole (150187-64-7)

Guidance literature:

With toluene-4-sulfonic acid; In dichloromethane; for 18h; regioselective reaction;

DOI:10.1021/jo9006656

Reference yield: 58.0%

5-nitroindazole (5401-94-5) → 5-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole (150187-64-7)

Guidance literature:

With toluene-4-sulfonic acid; In water; at 70 ℃;

DOI:10.1016/j.tetlet.2018.02.061

Reference yield: 5.0%

TETRAHYDROPYRANE (142-68-7) + 5-nitroindazole (5401-94-5) → 5-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole (150187-64-7)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; for 24h; Heating;

DOI:10.1002/ardp.19933260405

upstream raw materials:

TETRAHYDROPYRANE

5-nitroindazole

3,4-dihydro-2H-pyran

Downstream raw materials:

1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-amine

1-(4-((2-((1H-indazol-5-yl)amino)pyrimidin-4-yl)oxy)naphthalen-1-yl)-3-(3-(tert-butyl)-1-(4-(2-morpholinoethoxy)phenyl)-1H-pyrazol-5-yl)urea

1-(3-(tert-butyl)-1-(4-(2-morpholinoethoxy)phenyl)-1H-pyrazol-5-yl)-3-(4-((2-((1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl)amino)pyrimidin-4-yl)oxy)naphthalen-1-yl)urea