N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide

Base Information

• Chemical Name: N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
• CAS No.: 1691-99-2
• Molecular Formula: C12H10 F17 N O3 S
• Molecular Weight: 571.255
• Hs Code.: 2935009090
• European Community (EC) Number: 216-887-4
• DSSTox Substance ID: DTXSID6027426
• Nikkaji Number: J195.334F
• Wikidata: Q72475217
• Mol file: 1691-99-2.mol

Synonyms:1-octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-;2-(N-ethylperfluorooctanesulfonamido)ethyl alcohol;2-perfluorooctylsulfonyl-N-ethylaminoethyl alcohol;N-EtFOSE;N-EtFOSE N-ethyl perfluorooctane sulfonamidoethanol;N-ethyl perfluorooctane sulfonamidoethanol;N-ethyl perfluorooctanesulfonamido ethanol;N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-1-octanesulfonamide;N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide;N-ethylheptadecafluoro-N-(2-hydroxyethyl)octanesulphonamide;N-ethylperfluorooctanesulfonamidoethanol;N-EtPFOSE

Chemical Property of N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide

Chemical Property:

• Appearance/Colour: Under room temperature , it is white or yellowish waxy solid and turned into amber liquid after being melted.
• Vapor Pressure: 3.39E-05mmHg at 25°C
• Melting Point: 55-65°C
• Refractive Index: 1.347
• Boiling Point: 316.7 °C at 760 mmHg
• PKA: 14.10±0.10(Predicted)
• Flash Point: 145.4 °C
• PSA: 65.99000
• Density: 1.653 g/cm³
• LogP: 5.67810
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO, Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 11
• Exact Mass: 571.0109931
• Heavy Atom Count: 34
• Complexity: 830

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Ethyl-N-(2-hydroxyethyl)perfluorooctylsulphonamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: PFAS
• Canonical SMILES: CCN(CCO)S(=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
• Uses: N-Ethyl-N-(2-hydroxyethyl)perfluorooctylsulphonamide (Technical Grade) is a perfluorinated alkyl sulfonamide (PFAS) used in a variety of consumer products for surface protection. It is a pollutant found in the air.

Technology Process of N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide

There total 7 articles about N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-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: 99.0%

N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide (4151-50-2) + 2-bromoethanol (540-51-2) → N-ethyl-N-(2-hydroxyethyl)-perfluorooctane-1-sulfonamide (1691-99-2)

Guidance literature:

With potassium carbonate; sodium iodide; In acetone; for 48h; Heating;

DOI:10.1016/j.jfluchem.2007.01.013

Reference yield: 96.0%

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid [2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-ethyl-amide (1017593-64-4) → N-ethyl-N-(2-hydroxyethyl)-perfluorooctane-1-sulfonamide (1691-99-2)

Guidance literature:

With hydrogenchloride; In methanol; at 25 ℃; for 48h;

DOI:10.1016/j.jfluchem.2007.01.013

Reference yield: 93.0%

2-(N-ethyl-perfluorooctylsulfonamido)ethyl acetate (1017593-63-3) → N-ethyl-N-(2-hydroxyethyl)-perfluorooctane-1-sulfonamide (1691-99-2)

Guidance literature:

With potassium hydroxide; for 3h; Heating;

DOI:10.1016/j.jfluchem.2007.01.013

upstream raw materials:

N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide

[1,3]-dioxolan-2-one

2-(N-ethyl-perfluorooctylsulfonamido)ethyl acetate

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid [2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-ethyl-amide

Downstream raw materials:

2-(N-ethylperfluorooctanesulfonamido)ethyl acrylate

Refernces