4-fluoro-N-propylbenzenesulfonamide

Base Information

• Chemical Name: 4-fluoro-N-propylbenzenesulfonamide
• CAS No.: 433-05-6
• Molecular Formula: C9H12FNO2S
• Molecular Weight: 217.2604832
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID20368795
• Wikidata: Q82155618
• Mol file: 433-05-6.mol

Synonyms:4-fluoro-N-propylbenzenesulfonamide;433-05-6;N-PROPYL 4-FLUOROBENZENESULFONAMIDE;SCHEMBL14046920;DTXSID20368795;N-Propyl4-fluorobenzenesulfonamide;MFCD01212870;STK012483;AKOS000670565;4-fluoro-N-propyl-1-benzenesulfonamide;4-fluoro-N-propylbenzene-1-sulfonamide;SB77397;BS-23249;CS-0452483;EN300-06049;Z45545178

Chemical Property of 4-fluoro-N-propylbenzenesulfonamide

Chemical Property:

• Boiling Point: 308.2±44.0 °C(Predicted)
• PKA: 11.52±0.50(Predicted)
• PSA: 54.55000
• Density: 1.225±0.06 g/cm3(Predicted)
• LogP: 2.98570
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 217.05727796
• Heavy Atom Count: 14
• Complexity: 253

Purity/Quality:

97% ^*data from raw suppliers

4-Fluoro-N-propylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-fluoro-N-propylbenzenesulfonamide

There total 2 articles about 4-fluoro-N-propylbenzenesulfonamide 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:

propylamine (107-10-8,42939-71-9) + 4-Fluorobenzenesulfonyl chloride (349-88-2) → 4-fluoro-N-propylbenzenesulfonamide (433-05-6)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1021/acs.joc.8b03192

Reference yield:

→ 4-fluoro-N-propylbenzenesulfonamide (433-05-6)

Guidance literature:

/BRN= 3261751/;

Reference yield: 92.0%

cis-1,2-Dichloroethylene (156-59-2,43695-79-0) + 4-fluoro-N-propylbenzenesulfonamide (433-05-6) → N-ethynyl-4-fluoro-N-propylbenzenesulfonamide

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 80 ℃; for 1h; Schlenk technique;

DOI:10.1021/acs.joc.8b03192

upstream raw materials:

propylamine

4-Fluorobenzenesulfonyl chloride