N-(2,4-Difluorophenyl)propane-1-sulfonamide

Base Information

• Chemical Name: N-(2,4-Difluorophenyl)propane-1-sulfonamide
• CAS No.: 918523-57-6
• Molecular Formula: C9H11F2NO2S
• Molecular Weight: 235.255
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID80697477
• Nikkaji Number: J3.107.435E
• Wikidata: Q82627388
• Mol file: 918523-57-6.mol

Synonyms:N-(2,4-DIFLUOROPHENYL)PROPANE-1-SULFONAMIDE;918523-57-6;Propane-1-sulfonic acid (2,4-difluorophenyl)amide;C9H11F2NO2S;SCHEMBL856209;DTXSID80697477;AKOS008943204;SS-5223;CS-0005866;FT-0686211;N-(2,4-Difluorophenyl)-1-propanesulfonamide;propane-1-sulfonic acid (2,4-difluoro-phenyl)-amide

Chemical Property of N-(2,4-Difluorophenyl)propane-1-sulfonamide

Chemical Property:

• PSA: 54.55000
• LogP: 3.27030
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 235.04785609
• Heavy Atom Count: 15
• Complexity: 289

Purity/Quality:

98%min ^*data from raw suppliers

Propane-1-sulfonic acid (2,4-difluorophenyl)amide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCS(=O)(=O)NC1=C(C=C(C=C1)F)F

Technology Process of N-(2,4-Difluorophenyl)propane-1-sulfonamide

There total 1 articles about N-(2,4-Difluorophenyl)propane-1-sulfonamide 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: 93.0%

n-propanesulfonyl chloride (10147-36-1) + 2,4-difluorophenylamine (367-25-9,76563-56-9) → N-(3,5-difluorophenyl)propane-1-sulfonamide (918523-57-6)

Guidance literature:

With pyridine; In dichloromethane;

Reference yield: 56.0%

4-morpholinecarboxaldehyde (4394-85-8) + N-(3,5-difluorophenyl)propane-1-sulfonamide (918523-57-6) → N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide (918523-58-7)

Guidance literature:

N-(3,5-difluorophenyl)propane-1-sulfonamide; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 - 0 ℃; for 3h; Inert atmosphere;

4-morpholinecarboxaldehyde; In tetrahydrofuran; at -78 - 110 ℃; for 1.5h; Microwave irradiation;

DOI:10.1016/j.tetlet.2012.05.137

Reference yield: 20.0%

N-(3,5-difluorophenyl)propane-1-sulfonamide (918523-57-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide (918523-58-7)

Guidance literature:

N-(3,5-difluorophenyl)propane-1-sulfonamide; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at 20 ℃; for 1.25h;

upstream raw materials:

n-propanesulfonyl chloride

2,4-difluorophenylamine

Downstream raw materials:

N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide

vemurafenib

N-(3-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-yl)(hydroxyl)methyl)2,4-difluorophenyl)propane-1-sulfonamide

N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonoamide

Refernces

• 1、 -. "PYRROLO [2, 3-B] PYRIDINE DERIVATIVES FOR THE INHIBITION OF RAF KINASES". Page/Page column 36. . Retrieved 2010/10/03.
• 2、 -. "COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR". Page/Page column 92. . Retrieved 2009/03/07.