N-Benzylheptadecafluorooctane-1-sulphonamide

Base Information

• Chemical Name: N-Benzylheptadecafluorooctane-1-sulphonamide
• CAS No.: 50598-29-3
• Molecular Formula: C15H8F17NO2S
• Molecular Weight: 589.2674
• European Community (EC) Number: 256-640-8
• DSSTox Substance ID: DTXSID2068557
• Nikkaji Number: J261.549E
• Wikidata: Q81995310
• Mol file: 50598-29-3.mol

Synonyms:N-Benzylheptadecafluorooctane-1-sulphonamide;50598-29-3;1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(phenylmethyl)-;EINECS 256-640-8;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-N-(phenylmethyl)-1-octanesulfonamide;N-benzyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide;C15H8F17NO2S;SCHEMBL5377412;DTXSID2068557;N-Benzylperfluorooctanesulfonamide;C15-H8-F17-N-O2-S;N-Benzylheptadecafluorooctane-1-sulfonamide

Chemical Property of N-Benzylheptadecafluorooctane-1-sulphonamide

Chemical Property:

• Vapor Pressure: 6.98E-05mmHg at 25°C
• Boiling Point: 343.6°Cat760mmHg
• PKA: 7.81±0.40(Predicted)
• Flash Point: 161.6°C
• PSA: 54.55000
• Density: 1.633g/cm³
• LogP: 7.54460
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 10
• Exact Mass: 589.0004284
• Heavy Atom Count: 36
• Complexity: 885

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Benzylheptadecafluorooctane-1-sulphonamide

There total 4 articles about N-Benzylheptadecafluorooctane-1-sulphonamide 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:

perfluorooctyl sulfofluorure (307-35-7) + benzylamine (100-46-9) → benzyl perfluorooctane-1-sulfonamide (50598-29-3)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 21h;

DOI:10.1021/ac201117k

Reference yield:

1-iodoheptadecafluorooctane (507-63-1) → benzyl perfluorooctane-1-sulfonamide (50598-29-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Zn powder / water; dimethyl sulfoxide

2: hexane

With Zn powder; In hexane; water; dimethyl sulfoxide;

Reference yield:

perfluorooctanesulphonyl chloride (423-60-9) + benzylamine (100-46-9) → benzyl perfluorooctane-1-sulfonamide (50598-29-3)

Guidance literature:

In hexane; 60°C, 4 h;

upstream raw materials:

perfluorooctanesulphonyl chloride

benzylamine

1-iodoheptadecafluorooctane

perfluorooctyl sulfofluorure