4-Amino-6-fluorocinnoline-3-carboxylic acid

Base Information

• Chemical Name: 4-Amino-6-fluorocinnoline-3-carboxylic acid
• CAS No.: 161373-43-9
• Molecular Formula: C₉H₆FN₃O₂
• Molecular Weight: 207.164
• DSSTox Substance ID: DTXSID20167129
• Nikkaji Number: J625.727E
• Wikidata: Q83036442
• Mol file: 161373-43-9.mol

Synonyms:161373-43-9;4-amino-6-fluorocinnoline-3-carboxylic acid;4-Amino-6-fluorobenzopyridazine-3-carboxylic acid;3-Cinnolinecarboxylic acid, 4-amino-6-fluoro-, hydrate;4-Amino-6-fluoro-3-cinnolinecarboxylic acid hydrate;MFCD24395657;C9H6FN3O2.H2O;DTXSID20167129;AS-66484;LS-54276;SY254044;4-Amino-6-fluorocinnoline-3-carboxylicAcid;6-Fluoro-4-aminocinnoline-3-carboxylic acid;CS-0060683;4-Amino-6-fluorobenzoxazine-3-carboxylic acid;3-Cinnolinecarboxylic acid, 4-amino-6-fluoro-;A883111

Chemical Property of 4-Amino-6-fluorocinnoline-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 3.17E-08mmHg at 25°C
• Boiling Point: 431.9°Cat760mmHg
• Flash Point: 215°C
• PSA: 89.10000
• Density: 1.605g/cm³
• LogP: 1.63050
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 207.04440460
• Heavy Atom Count: 15
• Complexity: 264

Purity/Quality:

97% ^*data from raw suppliers

4-Amino-6-fluorocinnoline-3-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)C(=C(N=N2)C(=O)O)N

Technology Process of 4-Amino-6-fluorocinnoline-3-carboxylic acid

There total 3 articles about 4-Amino-6-fluorocinnoline-3-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: 65.8%

4-Amino-6-fluoro-cinnoline-3-carboxylic acid amide (161373-29-1) → 4-Amino-6-fluoro-cinnoline-3-carboxylic acid (161373-43-9)

Guidance literature:

With sulfuric acid; at 80 - 100 ℃;

Reference yield:

2-Cyano-2-[(4-fluoro-phenyl)-hydrazono]-acetamide (161373-22-4) → 4-Amino-6-fluoro-cinnoline-3-carboxylic acid (161373-43-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 97.5 percent / AlCl₃ / chlorobenzene / 1 h / 100 - 110 °C

2: 65.8 percent / 80percent aq. H₂SO₄ / 80 - 100 °C

With aluminium trichloride; sulfuric acid; In chlorobenzene;

Reference yield:

4-fluoroaniline (371-40-4) → 4-Amino-6-fluoro-cinnoline-3-carboxylic acid (161373-43-9)

Guidance literature:

Multi-step reaction with 3 steps

2: 97.5 percent / AlCl₃ / chlorobenzene / 1 h / 100 - 110 °C

3: 65.8 percent / 80percent aq. H₂SO₄ / 80 - 100 °C

With aluminium trichloride; sulfuric acid; In chlorobenzene;

upstream raw materials:

4-Amino-6-fluoro-cinnoline-3-carboxylic acid amide

2-Cyano-2-[(4-fluoro-phenyl)-hydrazono]-acetamide

4-fluoroaniline

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