3-amino-1H-indazole-6-carboxylic Acid

Base Information

• Chemical Name: 3-amino-1H-indazole-6-carboxylic Acid
• CAS No.: 871709-92-1
• Molecular Formula: C8H7N3O2
• Molecular Weight: 177.162
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70469226
• Wikidata: Q82296846
• Mol file: 871709-92-1.mol

Synonyms:3-amino-1H-indazole-6-carboxylic Acid;871709-92-1;SCHEMBL922195;SCHEMBL12398426;DTXSID70469226;NECZTEQDOQLSQW-UHFFFAOYSA-N;MFCD11847525;3-amino-1H-indazole-6-carboxylicAcid;AKOS016004814;3-amino-2H-indazole-6-carboxylic acid;CS-W019226;DS-3854;FT-0761608;F50940;EN300-1711712;A862750;Z1255357179

Chemical Property of 3-amino-1H-indazole-6-carboxylic Acid

Chemical Property:

• PSA: 92.73000
• LogP: 0.77340
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 177.053826475
• Heavy Atom Count: 13
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

3-amino-1H-indazole-6-carboxylicacid 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(=O)O)NN=C2N

Technology Process of 3-amino-1H-indazole-6-carboxylic Acid

There total 3 articles about 3-amino-1H-indazole-6-carboxylic Acid 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: 26.0%

4-cyano-3-fluorobenzoic acid (176508-81-9) → 3-amino-1H-indazole-6-carboxylic acid (871709-92-1)

Guidance literature:

With hydrazine hydrate; In butan-1-ol; at 110 ℃;

Reference yield:

3-nitro-1H-indazol-6-carboxylic acid (871709-91-0) → 3-amino-1H-indazole-6-carboxylic acid (871709-92-1)

Guidance literature:

With hydrogen; nickel; In methanol; at 20 ℃;

Reference yield:

1H-indazole-6-carboxylic acid (704-91-6) → 3-amino-1H-indazole-6-carboxylic acid (871709-92-1)

Guidance literature:

Multi-step reaction with 2 steps

1: nitric acid; acetic anhydride; acetic acid / 19 h / 45 °C

2: hydrogen / nickel / methanol / 20 °C

With hydrogen; nitric acid; acetic anhydride; acetic acid; nickel; In methanol;

upstream raw materials:

3-nitro-1H-indazol-6-carboxylic acid

4-cyano-3-fluorobenzoic acid

1H-indazole-6-carboxylic acid

Downstream raw materials:

3-amino-1H-indazol-6-carboxylic acid-3-chlorobenzylamide