1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(phenylmethyl)-

Base Information

• Chemical Name: 1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(phenylmethyl)-
• CAS No.: 68298-07-7
• Molecular Formula: C₁₁H₈F₉NO₂S
• Molecular Weight: 389.242
• DSSTox Substance ID: DTXSID7071369
• Nikkaji Number: J429.786E
• Wikidata: Q81998984
• Mol file: 68298-07-7.mol

Synonyms:68298-07-7;1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(phenylmethyl)-;N-(Phenylmethyl)perflourobutanesulfonamide;C11H8F9NO2S;DTXSID7071369;SCHEMBL11348996;C11-H8-F9-N-O2-S;N-(Phenylmethyl)perfluorobutanesulfonamide;N-Benzyl-1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonamide

Chemical Property of 1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(phenylmethyl)-

Chemical Property:

• Vapor Pressure: 0.00134mmHg at 25°C
• Melting Point: 85 - 88 °C
• Boiling Point: 297.5°Cat760mmHg
• Flash Point: 133.7°C
• PSA: 54.55000
• Density: 1.551g/cm³
• LogP: 5.00340
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 389.01320313
• Heavy Atom Count: 24
• Complexity: 533

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(phenylmethyl)-

There total 3 articles about 1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(phenylmethyl)- 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: 89.0%

Nonafluorobutanesulfonyl fluoride (375-72-4) + triethylamine (121-44-8) + benzylamine (100-46-9) → N-benzyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (68298-07-7)

Guidance literature:

In dichloromethane;

DOI:10.1002/hlca.200290006

Reference yield: 47.0%

perfluorobutanesulfonyl azide (65245-26-3) + toluene (108-88-3,15644-74-3,16713-13-6) → N-benzyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (68298-07-7)

Guidance literature:

With dirhodium tetraacetate; at 90 ℃; for 12h; regioselective reaction; Inert atmosphere; Schlenk technique; Molecular sieve;

DOI:10.1039/c3cc44594a

Reference yield:

Nonafluorobutanesulfonyl fluoride (375-72-4) + benzylamine (100-46-9) → N-benzyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (68298-07-7) + benzylamine hydrofluoride (55544-36-0)

Guidance literature:

upstream raw materials:

Nonafluorobutanesulfonyl fluoride

triethylamine

benzylamine

perfluorobutanesulfonyl azide