3-(2-fluoro-4-iodophenylaMino)isonicotinic acid

Base Information

• Chemical Name: 3-(2-fluoro-4-iodophenylaMino)isonicotinic acid
• CAS No.: 885588-03-4
• Molecular Formula: C12H8FIN2O2
• Molecular Weight: 358.111
• Mol file: 885588-03-4.mol

Synonyms:4-Pyridinecarboxylic acid,3-[(2-fluoro-4-iodophenyl)amino];3-[(4-iodo-2-fluorophenyl)amino]isonicotinic acid;3-[2-(fluoro-4-iodophenyl)amino]pyridine-4-carboxylic acid;3-((2-Fluoro-4-iodophenyl)amino)isonicotinic acid;QC-163;

Chemical Property of 3-(2-fluoro-4-iodophenylaMino)isonicotinic acid

Chemical Property:

• Boiling Point: 484.8±45.0 °C(Predicted)
• PKA: 1.39±0.36(Predicted)
• PSA: 62.22000
• Density: 1.909±0.06 g/cm3(Predicted)
• LogP: 3.34010
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

97% ^*data from raw suppliers

3-((2-Fluoro-4-iodophenyl)amino)isonicotinic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(2-fluoro-4-iodophenylaMino)isonicotinic acid

There total 3 articles about 3-(2-fluoro-4-iodophenylaMino)isonicotinic 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: 94.0%

3-fluoroisonicotinic acid (393-53-3) → 3-[(2-fluoro-4-iodophenyl)amino]isonicotinic acid (885588-03-4)

Guidance literature:

2-fluro-4-iodoaniline; With lithium hexamethyldisilazane; In tetrahydrofuran; at -65 - -55 ℃; for 0.5h;

3-fluoroisonicotinic acid; In tetrahydrofuran; at 20 ℃; for 96h;

With hydrogenchloride; In water; pH=2;

Reference yield: 94.0%

2-fluro-4-iodoaniline (29632-74-4) + 3-fluoroisonicotinic acid (393-53-3) → 3-[(2-fluoro-4-iodophenyl)amino]isonicotinic acid (885588-03-4)

Guidance literature:

2-fluro-4-iodoaniline; With lithium hexamethyldisilazane; In tetrahydrofuran; at -55 ℃; Inert atmosphere;

3-fluoroisonicotinic acid; In tetrahydrofuran; at 20 ℃; for 96h;

With hydrogenchloride; In water; pH=2;

Reference yield:

2-fluoropyridine-4-carboxylic acid (402-65-3) → 3-[(2-fluoro-4-iodophenyl)amino]isonicotinic acid (885588-03-4)

Guidance literature:

2-fluro-4-iodoaniline; With lithium hexamethyldisilazane; In tetrahydrofuran; at -67 - -59 ℃; for 2.5h;

2-fluoropyridine-4-carboxylic acid; In tetrahydrofuran; at -59 - 20 ℃; for 96h;

With hydrogenchloride; sodium hydroxide; water; more than 3 stages; Product distribution / selectivity;

upstream raw materials:

3-fluoroisonicotinic acid

2-fluro-4-iodoaniline

2-fluoropyridine-4-carboxylic acid

Downstream raw materials:

N-[(3aS,4R,7aR)-2,2-dimethylhexahydro-1,3-benzodioxol-4-yl]-3-[(2-fluoro-4-iodophenyl)amino]isonicotinamide

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