PH 797804

Base Information

• Chemical Name: PH 797804
• CAS No.: 586379-66-0
• Molecular Formula: C₂₂H₁₉BrF₂N₂O₃
• Molecular Weight: 477.305
• Hs Code.: 2933399090
• Mol file: 586379-66-0.mol

Synonyms:3-Bromo-4-[(2,4-difluorobenzyl)oxy]-1-[5-[(methylamino)carbonyl]-2-met

Chemical Property of PH 797804

Chemical Property:

• Boiling Point: 593.206 °C at 760 mmHg
• Flash Point: 312.56 °C
• PSA: 60.33000
• Density: 1.51 g/cm³
• LogP: 4.82450
• Storage Temp.: 20-25°C
• Solubility.: ≥23.85 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH

Purity/Quality:

99% ^*data from raw suppliers

PH 797804 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: PH-797804 is a novel N-phenylpyridinone inhibitor of p38 mitogen-activated protein (MAP) kinase derived from a racemic mixture as the more potent atropisomer and is also known to exerts anti-inflammat ory properties. PH-797804 is a novel N-phenylpyridinone inhibitor of p38 mitogen-activated protein (MAP) kinase derived from a racemic mixture as the more potent atropisomer and is also known to exerts anti-inflammatory properties.

Technology Process of PH 797804

There total 7 articles about PH 797804 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:

C21H15BrClF2NO3 + methylamine (74-89-5) → PH-797804 (586414-49-5,586414-48-4,586379-66-0,1358027-80-1)

Guidance literature:

In tetrahydrofuran; water; at 5 - 20 ℃; for 0.5h;

Reference yield:

3-(5-bromo-4-((2,4-difluorobenzyl)oxy)-6-methyl-2-oxopyridin-1(2H)-yl)-4-methylbenzoic acid (586379-64-8) + methylamine (74-89-5) → PH-797804 (586414-49-5,586414-48-4,586379-66-0,1358027-80-1)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 - 25 ℃;

DOI:10.1016/j.bmcl.2011.04.121

Reference yield:

4-hydroxy-6-methyl-2-pyron (675-10-5) → PH-797804 (586414-49-5,586414-48-4,586379-66-0,1358027-80-1)

Guidance literature:

Multi-step reaction with 5 steps

1: 1,2-dichloro-benzene / 150 - 160 °C

2: bromine; acetic acid / 5 °C

3: potassium carbonate / N,N-dimethyl-formamide / 20 - 25 °C

4: lithium hydroxide / tetrahydrofuran / 20 - 25 °C

5: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 20 - 25 °C

With bromine; potassium carbonate; benzotriazol-1-ol; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; lithium hydroxide; In tetrahydrofuran; N,N-dimethyl-formamide; 1,2-dichloro-benzene;

DOI:10.1016/j.bmcl.2011.04.121

upstream raw materials:

methylamine

4-hydroxy-6-methyl-2-pyron

methyl 3-(4-hydroxy-6-methyl-2-oxopyridin-1(2H)-yl)-4-methylbenzoate

3-(5-bromo-4-((2,4-difluorobenzyl)oxy)-6-methyl-2-oxopyridin-1(2H)-yl)-4-methylbenzoic acid

Downstream raw materials:

(-)-3-(4-(2,4-difluorobenzyloxy)-3-bromo-6-methyl-2-oxopyridin-1(2H)-yl)-N,4-dimethylbenzamide

Refernces

• 1、 -. "PROCESSES FOR THE PREPARATION OF 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDIN-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE". Page/Page column 31; 32; 36-37. . Retrieved 2008/12/06.