2-Benzyl-7-nitro-2H-indazole

Base Information

• Chemical Name: 2-Benzyl-7-nitro-2H-indazole
• CAS No.: 61063-08-9
• Molecular Formula: C14H11N3O2
• Molecular Weight: 253.26
• DSSTox Substance ID: DTXSID20489313
• Wikidata: Q82332542
• Mol file: 61063-08-9.mol

Synonyms:2-Benzyl-7-nitro-2H-indazole;61063-08-9;SCHEMBL25251690;DTXSID20489313

Chemical Property of 2-Benzyl-7-nitro-2H-indazole

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 253.085126602
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=C3C=CC=C(C3=N2)[N+](=O)[O-]

Technology Process of 2-Benzyl-7-nitro-2H-indazole

There total 2 articles about 2-Benzyl-7-nitro-2H-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: 59.0%

benzyl bromide (100-39-0) + 7-Nitroindazole (2942-42-9) → 1-benzyl-7-nitro-1H-indazole + 2-benzyl-7-nitro-2H-indazole (61063-08-9)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.tet.2006.10.086

Reference yield:

→ 2-benzyl-7-nitro-2H-indazole (61063-08-9)

Guidance literature:

4-formyl benzofurazanoxid, Benzylamin;

DOI:10.1021/jo00425a030

Reference yield: 67.0%

2-benzyl-7-nitro-2H-indazole (61063-08-9) → 7-amino-2-benzyl-2H-indazole (925668-32-2)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; In ethyl acetate; at 20 ℃; for 6h; under 3000.24 Torr;

DOI:10.1016/j.tet.2006.10.086

upstream raw materials:

benzyl bromide

7-Nitroindazole

Downstream raw materials:

7-amino-2-benzyl-2H-indazole