N-tert-butyl-4-fluorobenzenesulfonamide

Base Information

• Chemical Name: N-tert-butyl-4-fluorobenzenesulfonamide
• CAS No.: 29083-05-4
• Molecular Formula: C10H14FNO2S
• Molecular Weight: 231.291
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID60349942
• Wikidata: Q82125543
• Mol file: 29083-05-4.mol

Synonyms:N-tert-butyl-4-fluorobenzenesulfonamide;29083-05-4;N-(tert-Butyl)-4-fluorobenzenesulfonamide;N-tert-butyl-4-fluorobenzene-1-sulfonamide;N-tert-Butyl-4-fluoro-benzenesulfonamide;TimTec1_002852;SCHEMBL3834643;AMY4964;DTXSID60349942;PINZDTQLMQWFOP-UHFFFAOYSA-N;HMS1542B14;MFCD01213076;STK092597;AKOS000390140;AT22942;SB77396;BS-22223;CS-0205919;A876532;SR-01000319285;SR-01000319285-1;BRD-K00668147-001-01-1;Z45516702

Chemical Property of N-tert-butyl-4-fluorobenzenesulfonamide

Chemical Property:

• PSA: 54.55000
• LogP: 3.37420
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 231.07292802
• Heavy Atom Count: 15
• Complexity: 294

Purity/Quality:

97% ^*data from raw suppliers

N-tert-Butyl-4-fluorobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)F

Technology Process of N-tert-butyl-4-fluorobenzenesulfonamide

There total 4 articles about N-tert-butyl-4-fluorobenzenesulfonamide 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: 71.0%

4-fluorophenylsulphonamide (402-46-0) + 1,3-dioxoisoindolin-2-yl 3,3-dimethylbutanoate (84379-72-6) → N-(tert-butyl)-4-fluorobenzenesulfonamide (29083-05-4)

Guidance literature:

With lithium tetrafluoroborate; 12-phenyl-12H-benzo[b]phenothiazine; In dichloromethane; at 20 ℃; for 18h; Irradiation;

DOI:10.1002/cctc.202100803

Reference yield:

4-Fluorobenzenesulfonyl chloride (349-88-2) + tert-butylamine (75-64-9) → N-(tert-butyl)-4-fluorobenzenesulfonamide (29083-05-4)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; Cooling with ice;

DOI:10.1021/ja3110818

Reference yield:

4-Fluorobenzenesulfonyl chloride (349-88-2) + 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran (96042-30-7) → N-(tert-butyl)-4-fluorobenzenesulfonamide (29083-05-4)

Guidance literature:

With tert-butylamine; triethylamine;

upstream raw materials:

4-Fluorobenzenesulfonyl chloride

4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran

tert-butylamine

4-fluorophenylsulphonamide

Downstream raw materials:

4-fluorophenylsulphonamide