4-((3-(4-cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoicacid

Base Information

• Chemical Name: 4-((3-(4-cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoicacid
• CAS No.: 892242-64-7
• Molecular Formula: C31H30N4O4
• Molecular Weight: 522.604
• Mol file: 892242-64-7.mol

Synonyms:4-((3-(4-cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoicacid

Chemical Property of 4-((3-(4-cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoicacid

Chemical Property:

• PSA: 98.91000
• LogP: 6.01160
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature

Purity/Quality:

99% ^*data from raw suppliers

4-((3-(4-Cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-((3-(4-cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoicacid

There total 6 articles about 4-((3-(4-cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoicacid 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: 91.0%

cyclohexylpiperazine (17766-28-8) + 4-((3-bromo-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoic acid → 4-((3-(4-cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoic acid (892242-64-7)

Guidance literature:

cyclohexylpiperazine; 4-((3-bromo-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoic acid; With triethylamine; In dimethyl sulfoxide; at 60 - 65 ℃; Large scale;

With phosphoric acid; In 1-methyl-pyrrolidin-2-one; at 40 ℃; for 1 - 2h; Large scale;

Reference yield:

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-((3-(4-cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoic acid (892242-64-7)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium hydroxide / N,N-dimethyl acetamide / 24 h / 40 - 60 °C

2: triethylamine / dimethyl sulfoxide / 50 - 70 °C

With triethylamine; lithium hydroxide; In N,N-dimethyl acetamide; dimethyl sulfoxide;

Reference yield:

3,5-dibromo-6-oxo-6H-anthra<1,9-cd>isoxazole (82840-40-2) → 4-((3-(4-cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoic acid (892242-64-7)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium hydroxide / N,N-dimethyl acetamide / 45 - 55 °C / Inert atmosphere

2: triethylamine / dimethyl sulfoxide / 60 - 70 °C

With triethylamine; lithium hydroxide; In N,N-dimethyl acetamide; dimethyl sulfoxide;

upstream raw materials:

cyclohexylpiperazine

4-amino-benzoic acid

3,5-dibromo-6-oxo-6H-anthra<1,9-cd>isoxazole

1-amino-9,10-anthracenedione

Refernces

• 1、 -. "CRYSTALLINE FORMS OF TYROSINE KINASE INHIBITORS AND THEIR SALTS". Page/Page column 27. . Retrieved 2016/04/09.