1-Propanesulfonamide, N-[3-[[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-

Base Information

• Chemical Name: 1-Propanesulfonamide, N-[3-[[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-
• CAS No.: 1262985-23-8
• Molecular Formula: C30H20Cl3F2N3O4S
• Molecular Weight: 662.928
• Mol file: 1262985-23-8.mol

Synonyms:QC-1075;;

Chemical Property of 1-Propanesulfonamide, N-[3-[[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-

Chemical Property:

• Boiling Point: 760.2±70.0 °C(Predicted)
• PKA: 6.11±0.10(Predicted)
• PSA: 106.51000
• Density: 1.50±0.1 g/cm3(Predicted)
• LogP: 9.16670
• Storage Temp.: 2-8°C

Purity/Quality:

99.9% ^*data from raw suppliers

N-(3-(5-(4-Chlorophenyl)-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]-pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: N-(3-(5-(4-Chlorophenyl)-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]-pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide is a useful reagent for the preparation of solid state form of vemurafenib choline salt.

Technology Process of 1-Propanesulfonamide, N-[3-[[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-

There total 9 articles about 1-Propanesulfonamide, N-[3-[[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]- 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: 85.0%

propane-1-sulfonic acid {3-[5-bromo-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}amide (1262985-24-9) + 4-Chlorophenylboronic acid (1679-18-1) → propane-1-sulfonic acid {3-[5-(4-chlorophenyl) 1-(2,6-dichloro-benzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide (1262985-23-8)

Guidance literature:

With sodium carbonate; bis-triphenylphosphine-palladium(II) chloride; In water; methoxybenzene; at 70 - 88 ℃; Inert atmosphere;

Reference yield: 52.0%

n-propanesulfonyl chloride (10147-36-1) + (3-(3-amino-2,6-difluorobenzoyl)-5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)(2,6-dichlorophenyl)methanone → propane-1-sulfonic acid {3-[5-(4-chlorophenyl) 1-(2,6-dichloro-benzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide (1262985-23-8)

Guidance literature:

With pyridine; In 1,4-dioxane; Concentration; Reagent/catalyst; Solvent; Temperature; Time; Reflux; Large scale;

Reference yield:

N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]propane-1-sulfonamide (918504-27-5) → propane-1-sulfonic acid {3-[5-(4-chlorophenyl) 1-(2,6-dichloro-benzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide (1262985-23-8)

Guidance literature:

Multi-step reaction with 2 steps

1: dmap; tri-n-propylamine / toluene

2: sodium carbonate; bis-triphenylphosphine-palladium(II) chloride / toluene; water / 2 h / 25 - 110 °C / Inert atmosphere

With tri-n-propylamine; dmap; bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In water; toluene;

upstream raw materials:

propane-1-sulfonic acid {3-[5-bromo-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}amide

4-Chlorophenylboronic acid

(3-amino-2,6-difluoro-phenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone

n-propanesulfonyl chloride

Downstream raw materials:

vemurafenib