2-(N-2''-FLURO-4''-IODOPHENYL)AMINO-3,4-DIFLUORO BENZOIC ACID

Base Information

• Chemical Name: 2-(N-2''-FLURO-4''-IODOPHENYL)AMINO-3,4-DIFLUORO BENZOIC ACID
• CAS No.: 391211-97-5
• Molecular Formula: C13H7F3INO2
• Molecular Weight: 393.104
• Hs Code.: 2922499990
• Mol file: 391211-97-5.mol

Synonyms:3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid;

Chemical Property of 2-(N-2''-FLURO-4''-IODOPHENYL)AMINO-3,4-DIFLUORO BENZOIC ACID

Chemical Property:

• Melting Point: 189-191°C
• Boiling Point: 370.1±42.0 °C(Predicted)
• PKA: 3.25±0.36(Predicted)
• PSA: 49.33000
• Density: 1.939±0.06 g/cm3(Predicted)
• LogP: 4.22330
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Sparingly), Methanol (Slightly)

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(2-Fluoro-4-iodoanilino)-3,4-difluorobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Intermediate in the preparation of MEK inhibitors.

Technology Process of 2-(N-2''-FLURO-4''-IODOPHENYL)AMINO-3,4-DIFLUORO BENZOIC ACID

There total 5 articles about 2-(N-2''-FLURO-4''-IODOPHENYL)AMINO-3,4-DIFLUORO BENZOIC 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: 99.0%

2-fluro-4-iodoaniline (29632-74-4) + 2,3,4,-trifluorobenzoic acid (61079-72-9) → 3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzoic acid (391211-97-5)

Guidance literature:

With lithium amide; In tetrahydrofuran;

DOI:10.1016/j.neuropharm.2018.10.022

Reference yield: 98.8%

C20H13F3INO2 → 3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzoic acid (391211-97-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; water; at 20 ℃; under 1034.32 - 3102.97 Torr; Autoclave;

Reference yield:

C14H9F3O2 → 3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzoic acid (391211-97-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 6 h / 0 - 60 °C

2: palladium 10% on activated carbon; hydrogen / water; ethanol / 20 °C / 1034.32 - 3102.97 Torr / Autoclave

With palladium 10% on activated carbon; hydrogen; N-ethyl-N,N-diisopropylamine; In ethanol; water; N,N-dimethyl-formamide;

upstream raw materials:

2-fluro-4-iodoaniline

2,3,4,-trifluorobenzoic acid

Downstream raw materials:

3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoyl fluoride

PD0325901

N-[(S)-2,3-dihydroxy-propoxy]-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide

1-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoyl]-3-azetidinone

Refernces

• 1、 -. "MODIFIED PROTEINS AND PROTEIN DEGRADERS". Paragraph 001363-001365. . Retrieved 2021/12/08.
• 2、 -. "Compositions of essentially pure form IV of N-((R)-2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide and uses thereof". Page/Page column 21-22. . Retrieved 2021/07/21.