2-(4-(4-(4-(2-chlorophenylcarbaMoyl)phenylaMino)-5-fluoropyriMidin-2-ylaMino)phenyl)acetic acid

Base Information

• Chemical Name: 2-(4-(4-(4-(2-chlorophenylcarbaMoyl)phenylaMino)-5-fluoropyriMidin-2-ylaMino)phenyl)acetic acid
• CAS No.: 1158838-42-6
• Molecular Formula: C25H19ClFN5O3
• Molecular Weight: 491.9014632
• Mol file: 1158838-42-6.mol

Synonyms:2-(4-(4-(4-(2-chlorophenylcarbaMoyl)phenylaMino)-5-fluoropyriMidin-2-ylaMino)phenyl)acetic acid;4-[[4-[[4-[[(2-chlorophenyl)amino]carbonyl]phenyl] amino]-5-fluoro-2-pyrimidinyl]amino]benzeneacetic acid

Chemical Property of 2-(4-(4-(4-(2-chlorophenylcarbaMoyl)phenylaMino)-5-fluoropyriMidin-2-ylaMino)phenyl)acetic acid

Chemical Property:

• PSA: 116.24000
• LogP: 5.85470

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-(4-(4-(2-Chlorophenylcarbamoyl)phenylamino)-5-fluoropyrimidin-2-ylamino)phenyl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 2-(4-(4-(4-(2-Chlorophenylcarbamoyl)phenylamino)-5-fluoropyrimidin-2-ylamino)phenyl)acetic Acid is used as a reactant in the synthesis of bisanilinopyrimidine Aurora A inhibitors with high selectivity.

Technology Process of 2-(4-(4-(4-(2-chlorophenylcarbaMoyl)phenylaMino)-5-fluoropyriMidin-2-ylaMino)phenyl)acetic acid

There total 1 articles about 2-(4-(4-(4-(2-chlorophenylcarbaMoyl)phenylaMino)-5-fluoropyriMidin-2-ylaMino)phenyl)acetic 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:

4-((2-chloro-5-fluoropyrimidin-4-yl)amino)-N-(2-chlorophenyl)benzamide (1158838-41-5) + 4-aminophenylacetic acid (1197-55-3) → 2-(4-(4-(4-(2-chlorophenylcarbamoyl)phenylamino)-5-fluoropyrimidin-2-ylamino)phenyl)acetic acid (1158838-42-6)

Guidance literature:

4-((2-chloro-5-fluoropyrimidin-4-yl)amino)-N-(2-chlorophenyl)benzamide; 4-aminophenylacetic acid; With hydrogenchloride; In ethanol; at 180 ℃; for 0.166667h; Microwave irradiation;

With water; lithium hydroxide; at 40 ℃; for 4h;

DOI:10.1021/jm9000314

Reference yield: 78.0%

4-ethylpiperazine (5308-25-8) + 2-(4-(4-(4-(2-chlorophenylcarbamoyl)phenylamino)-5-fluoropyrimidin-2-ylamino)phenyl)acetic acid (1158838-42-6) → N-(2-chlorophenyl)-4-(2-(4-(2-(4-ethylpiperazin-1-yl)-2-oxoethyl)phenylamino)-5-fluoropyrimidin-4-ylamino)benzamide (1158838-45-9)

Guidance literature:

With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide;

DOI:10.1021/jm9000314

Reference yield: 19.0%

N-acetylpiperidine (13889-98-0) + 2-(4-(4-(4-(2-chlorophenylcarbamoyl)phenylamino)-5-fluoropyrimidin-2-ylamino)phenyl)acetic acid (1158838-42-6) → 4-(2-(4-(2-(4-acetylpiperazin-1-yl)-2-oxoethyl)phenylamino)-5-fluoropyrimidin-4-ylamino)-N-(2-chlorophenyl)benzamide (1158838-43-7)

Guidance literature:

With benzotriazol-1-ol; 1,2-dichloro-ethane; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 45 ℃;

DOI:10.1021/jm9000314

upstream raw materials:

4-((2-chloro-5-fluoropyrimidin-4-yl)amino)-N-(2-chlorophenyl)benzamide

4-aminophenylacetic acid

Downstream raw materials:

N-(2-chlorophenyl)-4-(2-(4-(2-(4-ethylpiperazin-1-yl)-2-oxoethyl)phenylamino)-5-fluoropyrimidin-4-ylamino)benzamide

4-(2-(4-(2-(4-acetylpiperazin-1-yl)-2-oxoethyl)phenylamino)-5-fluoropyrimidin-4-ylamino)-N-(2-chlorophenyl)benzamide

Refernces