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

Base Information

• Chemical Name: Ethyl 3-hydroxy-5-nitro-1H-indazole-1-carboxylate
• CAS No.: 178160-22-0
• Molecular Formula: C10H9N3O5
• Molecular Weight: 251.199
• DSSTox Substance ID: DTXSID40570873
• Wikidata: Q82458439
• Mol file: 178160-22-0.mol

Synonyms:178160-22-0;Ethyl 3-hydroxy-5-nitro-1H-indazole-1-carboxylate;ETHYL 5-NITRO-3-OXO-2,3-DIHYDRO-1H-INDAZOLE-1-CARBOXYLATE;ethyl 5-nitro-3-oxo-2H-indazole-1-carboxylate;MFCD21646903;SCHEMBL15081336;DTXSID40570873;PZZXOYLHFQSEQP-UHFFFAOYSA-N;AB60854;SY333334;E87303;ethyl 3-hydroxy-5-nitro-1H-indazol-1-carboxylate;Ethyl3-hydroxy-5-nitro-1H-indazole-1-carboxylate;3-Hydroxy-5-nitro-indazole-1-carboxylic acid ethyl ester

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

Chemical Property:

• PSA: 110.17000
• LogP: 2.17790
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 251.05422040
• Heavy Atom Count: 18
• Complexity: 380

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl3-hydroxy-5-nitro-1H-indazole-1-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1

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

There total 4 articles about Ethyl 3-hydroxy-5-nitro-1H-indazole-1-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: 92.0%

5-nitroindazolin-3-one (61346-19-8) + chloroformic acid ethyl ester (541-41-3) → ethyl 3-hydroxy-5-nitro-1H-indazole-1-carboxylate (178160-22-0)

Guidance literature:

With pyridine; for 1.5h; Ambient temperature;

Reference yield: 85.0%

chloroformic acid ethyl ester (541-41-3) + 5-nitro-1H-indazol-3-ol → ethyl 3-hydroxy-5-nitro-1H-indazole-1-carboxylate (178160-22-0)

Guidance literature:

With pyridine; at 70 ℃; for 3h;

Reference yield:

2-chloro-5-nitro-benzoic acid methyl ester (6307-82-0) → ethyl 3-hydroxy-5-nitro-1H-indazole-1-carboxylate (178160-22-0)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / ethanol / 1 h / 90 °C

2: pyridine / 1.5 h / 20 °C

With pyridine; hydrazine hydrate; In ethanol;

upstream raw materials:

5-nitroindazolin-3-one

chloroformic acid ethyl ester

2-chloro-5-nitro-benzoic acid methyl ester

methyl 2-bromo-5-nitrobenzoate

Downstream raw materials:

2-(2-Fluorobenzyl)-5-nitro-1,2-dihydro-3H-indazol-3-one

2-benzyl-1-butyl-5-nitroindazolin-3-one

C₁₈H₁₉N₃O₃

C₁₉H₂₁N₃O₃

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