7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid

Base Information

• Chemical Name: 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid
• CAS No.: 159831-77-3
• Molecular Formula: C₁₆H₉ClFN₃O₂
• Molecular Weight: 329.718
• Mol file: 159831-77-3.mol

Synonyms:159831-77-3;7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid;4-(benzylideneamino)-7-chloro-6-fluorocinnoline-3-carboxylic acid;3-Cinnolinecarboxylic acid, 7-chloro-6-fluoro-4-((phenylmethylene)amino)-;C16H9ClFN3O2;C16-H9-Cl-F-N3-O2;LS-54282

Chemical Property of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid

Chemical Property:

• Vapor Pressure: 8.25E-14mmHg at 25°C
• Boiling Point: 569.5°Cat760mmHg
• Flash Point: 298.2°C
• Density: 1.46g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 329.0367324
• Heavy Atom Count: 23
• Complexity: 459

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=NC2=C(N=NC3=CC(=C(C=C32)F)Cl)C(=O)O

Technology Process of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid

There total 4 articles about 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic 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: 55.0%

benzaldehyde (100-52-7) + 4-amino-7-chloro-6-fluorocinnoline-3-carboxylic acid (159831-73-9) → 7-Chloro-6-fluoro-4-{[1-phenyl-meth-(E)-ylidene]-amino}-cinnoline-3-carboxylic acid (159831-77-3)

Guidance literature:

In ethanol; for 3h; Heating;

Reference yield:

C6H3Cl2FN2 → 7-Chloro-6-fluoro-4-{[1-phenyl-meth-(E)-ylidene]-amino}-cinnoline-3-carboxylic acid (159831-77-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 70 percent / sodium acetate / H₂O; ethanol / 3 h / 0 °C

2: 45 percent / AlCl₃ / chlorobenzene / 1 h / Heating

3: 60 percent / KOH / ethanol / 3 h / Heating

4: 55 percent / ethanol / 3 h / Heating

With potassium hydroxide; aluminium trichloride; sodium acetate; In ethanol; water; chlorobenzene;

Reference yield:

4-amino-7-chloro-6-fluorocinnoline-3-carboxamide (159831-72-8) → 7-Chloro-6-fluoro-4-{[1-phenyl-meth-(E)-ylidene]-amino}-cinnoline-3-carboxylic acid (159831-77-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / KOH / ethanol / 3 h / Heating

2: 55 percent / ethanol / 3 h / Heating

With potassium hydroxide; In ethanol;

upstream raw materials:

benzaldehyde

4-amino-7-chloro-6-fluorocinnoline-3-carboxylic acid

3-chloro-4-fluoroarylhydrazino(cyano)acetamide

4-amino-7-chloro-6-fluorocinnoline-3-carboxamide