Ethyl 5-nitro-1H-indazole-3-carboxylate

Base Information

• Chemical Name: Ethyl 5-nitro-1H-indazole-3-carboxylate
• CAS No.: 78155-85-8
• Molecular Formula: C10H9N3O4
• Molecular Weight: 235.19600
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60506972
• Wikidata: Q82362957
• Mol file: 78155-85-8.mol

Synonyms:ETHYL 5-NITRO-1H-INDAZOLE-3-CARBOXYLATE;78155-85-8;ethyl 5-nitroindazolyl-3-carboxylate;ETHYL5-NITRO-1H-INDAZOLE-3-CARBOXYLATE;SCHEMBL1176020;DTXSID60506972;XQCDWVWONSFMLL-UHFFFAOYSA-N;ethyl 5-nitroindazole-3-carboxylate;MFCD07371595;AKOS015967650;SB38740;CS-0315595;FT-0704384;F52660

Chemical Property of Ethyl 5-nitro-1H-indazole-3-carboxylate

Chemical Property:

• PSA: 100.80000
• LogP: 2.17100
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 235.05930578
• Heavy Atom Count: 17
• Complexity: 317

Purity/Quality:

97% ^*data from raw suppliers

Ethyl5-nitro-1H-indazole-3-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NNC2=C1C=C(C=C2)[N+](=O)[O-]

Technology Process of Ethyl 5-nitro-1H-indazole-3-carboxylate

There total 6 articles about Ethyl 5-nitro-1H-indazole-3-carboxylate 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: 60.0%

ethanol (64-17-5) + 5-nitro-1H-indazole-3-carboxylic acid (78155-76-7) → 3-ethoxycarbonyl-5-nitro-1H-indazole (78155-85-8)

Guidance literature:

With sulfuric acid; for 9h; Heating;

DOI:10.1055/s-2006-942367

Reference yield: 53.0%

ethyl 1H-indazole-3-carboxylate (4498-68-4) → 3-ethoxycarbonyl-5-nitro-1H-indazole (78155-85-8)

Guidance literature:

With sulfuric acid; nitric acid; at 0 ℃; for 2h;

Reference yield: 53.0%

ethyl 1H-indazole-3-carboxylate (4498-68-4) → ethyl 7-nitroindazole-3-carboxylate (865886-78-8) + 3-ethoxycarbonyl-5-nitro-1H-indazole (78155-85-8)

Guidance literature:

With sulfuric acid; nitric acid; In water; at 0 ℃; for 2h;

upstream raw materials:

ethanol

5-nitro-1H-indazole-3-carboxylic acid

1H-Indazole-3-carboxylic acid

ethyl 1H-indazole-3-carboxylate

Downstream raw materials:

1-(3-methoxybenzoyl)-5-nitro-1H-indazole-3-carboxylic acid ethyl ester

5-amino-1-(3-methylbenzoyl)-1H-indazole-3-carboxylic acid ethyl ester

5-acetylamino-1-(3-methylbenzoyl)-1H-indazole-3-carboxylic acid ethyl ester

1-(3-methylbenzoyl)-5-propionylamino-1H-indazole-3-carboxylic acid ethyl ester