2991-50-6 Usage
Description
N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycine, also known as N-Ethyl-N-(perfluoro-1-octanesulfonyl) Glycine, is a sulfonamide derivative with a unique perfluorinated structure. It is characterized by its heptadecafluorooctyl group, which contributes to its distinct properties and potential applications in various fields.
Uses
Used in Biological Studies:
N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycine is used as a study compound for investigating the transformation and bioaccumulation of N-Et perfluorooctane sulfonamide ethanol (N-EtFOSE) in soil-earthworm systems. This application is particularly relevant for understanding the environmental impact and behavior of perfluorinated compounds.
Used in Environmental Research:
In the field of environmental research, N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycine serves as a model compound to study the fate and transport of perfluorinated chemicals in ecosystems. This knowledge is crucial for assessing the potential risks associated with these compounds and developing strategies for their mitigation.
Used in Chemical Synthesis:
Due to its unique structure, N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycine can be employed as an intermediate or building block in the synthesis of various perfluorinated compounds with specific applications in materials science, pharmaceuticals, and other industries.
Used in Analytical Chemistry:
The distinct properties of N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycine make it a valuable tool in analytical chemistry for the development of novel methods and techniques for the detection, quantification, and analysis of perfluorinated substances in environmental and biological samples.
Check Digit Verification of cas no
The CAS Registry Mumber 2991-50-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,9,9 and 1 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 2991-50:
(6*2)+(5*9)+(4*9)+(3*1)+(2*5)+(1*0)=106
106 % 10 = 6
So 2991-50-6 is a valid CAS Registry Number.
InChI:InChI=1/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32)
2991-50-6Relevant articles and documents
Synthesis and structure of environmentally relevant perfluorinated sulfonamides
Lehmler, Hans-Joachim,Rama Rao,Nauduri, Dhananjaya,Vargo, John D.,Parkin, Sean
, p. 595 - 607 (2008/02/07)
Alkylated perfluorooctanesulfonamides are compounds of environmental concern. To make these compounds available for environmental and toxicological studies, a series of N-alkylated perfluorooctanesulfonamides and structurally related compounds were synthesized by reaction of the corresponding perfluoroalkanesulfonyl fluoride with a suitable primary or secondary amine. Perfluoroalkanesulfonamidoethanols were obtained from the N-alkyl perfluoroalkanesulfonamides either by direct alkylation with bromoethanol or alkylation with acetic acid 2-bromo-ethyl ester followed by hydrolysis of the acetate. N-Alkyl perfluorooctanesulfonamidoacetates were synthesized in an analogous way by alkylation of N-alkyl perfluoroalkanesulfonamides with a bromo acetic acid ester, followed by basic ester hydrolysis. Alternatively, N-alkyl perfluoroalkanesulfonamides can be alkylated with an appropriate alcohol using the Mitsunobu reaction. Perfluorooctanesulfonamide was synthesized from the perfluorooctanesulfonyl fluoride via the azide by reduction with Zn/HCl. All perfluorooctanesulfonamides contained linear as well as branched C8F17 isomers, typically in a 10:1 to 30:1 ratio. The crystal structures of N-ethyl and N,N-diethyl perfluorooctanesulfonamide show that the S-N bond has considerable double bond character. This double bond character results in a significant rotational barrier around the S-N bond (ΔG≠ = 62-71 kJ mol-1) and a preferred solid state and solution conformation in which the N-alkyl groups are oriented opposite to the perfluorooctyl group to minimize steric crowding around the S-N bond.