6-Methoxy-5-nitro-1H-indazole

Base Information

• Chemical Name: 6-Methoxy-5-nitro-1H-indazole
• CAS No.: 152626-75-0
• Molecular Formula: C8H7N3O3
• Molecular Weight: 193.15900
• Hs Code.: 2933990090
• European Community (EC) Number: 810-552-1
• DSSTox Substance ID: DTXSID90570924
• Wikidata: Q82458497
• Mol file: 152626-75-0.mol

Synonyms:6-Methoxy-5-nitro-1H-indazole;152626-75-0;6-Methoxy-5-nitro (1H)indazole;6-Methoxy-5-nitro-2H-indazole;MFCD11007881;starbld0026147;SCHEMBL357408;SCHEMBL25244854;DTXSID90570924;QULAONDBWZZTOI-UHFFFAOYSA-N;BCP06786;CGA62675;AKOS006302764;AM84485;AC-33885;AS-59648;SY103297;CS-0044776;G10600;A883890

Chemical Property of 6-Methoxy-5-nitro-1H-indazole

Chemical Property:

• Boiling Point: 426.5±25.0 °C(Predicted)
• PKA: 12.00±0.40(Predicted)
• PSA: 83.73000
• Density: 1.475±0.06 g/cm3(Predicted)
• LogP: 2.00290
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 193.04874109
• Heavy Atom Count: 14
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

6-methoxy-5-nitro-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C=NNC2=C1)[N+](=O)[O-]

Technology Process of 6-Methoxy-5-nitro-1H-indazole

There total 6 articles about 6-Methoxy-5-nitro-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:

5-methoxy-2-methyl-4-nitroacetanilide (361162-90-5) → 6-methoxy-5-nitro-1H-indazole (152626-75-0)

Guidance literature:

5-methoxy-2-methyl-4-nitroacetanilide; With acetic anhydride; potassium carbonate; In chloroform; acetic acid; at 40 ℃;

With Isovaleronitrile; In chloroform; acetic acid; at 60 ℃;

With hydrogenchloride; In methanol; at 80 ℃; for 2h;

Reference yield:

6-methoxy-1H-indazole (3522-07-4) → 6-methoxy-5-nitro-1H-indazole (152626-75-0)

Guidance literature:

With sodium nitrate; sulfuric acid; In water; at 20 ℃;

DOI:10.1016/j.bmc.2004.02.025

Reference yield:

5-methoxy-o-toluidine (50868-72-9) → 6-methoxy-5-nitro-1H-indazole (152626-75-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium acetate / CHCl₃ / 20 - 40 °C

1.2: isoamyl nitrite / CHCl₃ / 60 °C

2.1: HCl / methanol / 80 °C

3.1: sodium nitrate; H₂SO₄ / H₂O / 20 °C

With hydrogenchloride; sodium nitrate; sulfuric acid; potassium acetate; In methanol; chloroform; water;

DOI:10.1016/j.bmc.2004.02.025

upstream raw materials:

5-methoxy-2-methyl-4-nitroaniline

6-methoxy-1H-indazole

1-(6-Methoxy-indazol-1-yl)-ethanone

5-methoxy-o-toluidine

Downstream raw materials:

6-methoxy-1H-indazol-5-amine