N-Fluorobenzenesulfonimide
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N-Fluorobenzenesulfonimide
structure -
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CAS No:
133745-75-2
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Formula:
C12H10FNO4S2
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Chemical Name:
N-Fluorobenzenesulfonimide
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Synonyms:
Benzenesulfonamide,N-fluoro-N-(phenylsulfonyl)-;N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide;N-Fluorobis(phenylsulfonyl)amine;N-Fluorodibenzenesulfonimide;N-Fluorobenzenesulfonimide;Accufluor NFSi;NFSI;N-Fluoro-N-(benzenesulfonyl)benzenesulfonamide;N-Phenylsulfonyl-N-fluorobenzenesulfonamide;Fluorobis(phenylsulfonyl)amine
- Categories:
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CAS No:
N-Fluorobenzenesulfonimide Basic Attributes
315.34
315.34
5348902
-0
38TGL3A00I
DTXSID10343177
2935009090
Characteristics
88.3
2.6
1.5±0.1 g/cm3
114-116 °C
110℃
1.600
Very soluble in acetonitrile, dichloromethane or THF and less soluble in toluene.
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-37/39
Xi,O
Oxidising Agent
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|H315 (97.96%): Causes skin irritation [Warning Skin corrosion/irritation]|Aggregated GHS information provided by 50 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
N-Fluorobenzenesulfonimide Use and Manufacturing
Palladium-catalyzed enantioselective fluorination of tert-butoxycarbonyl lactone and lactam compounds. It can also be used for the electrophilic difluorination of dihalopyridine compounds under the action of butyl lithium, and the direct conversion of alcohols under the action of triphenylphosphine into bisbenzenesulfonimides. Stable and easy-to-handle crystalline material, easy to convert F+ into enolate and carbanion. A stable and mild fluorinating reagent for monofluorination of electron-rich aromatic compounds, enol silyl ethers, lithium enols, etc.; under the catalysis of small chiral organic molecules, NFSI can react with aldehydes, ketones, esters, etc. NFSI can perform electrophilic fluorination reaction on substrates such as aldehydes, ketones, esters and other substrates with high enantioselectivity under the catalysis of chiral metal complexes; As a fluorine reagent, it can be used for the addition reaction of double bonds; as a fluorine reagent, it can be used for the fluorination of aromatic compounds; used for the palladium-catalyzed enantioselective fluorination of tert-butoxycarbonyl lactone and lactam compounds; The electrophilic difluorination of dihalopyridine compounds under the action of butyllithium and the direct conversion of alcohols under the action of triphenylphosphine into bisbenzenesulfonimide compounds; mainly used as a fluorinating agent for electron-rich Monofluorination of aromatic compounds, enol silyl ethers, enol lithium salts, etc.
Computed Properties
Molecular Weight:315.3
XLogP3:2.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:315.00352831
Monoisotopic Mass:315.00352831
Topological Polar Surface Area:88.3
Heavy Atom Count:20
Complexity:461
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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