trifluoromethylsulfonic anhydride
aniline
N,N-phenylbistrifluoromethane-sulfonimide
Conditions | Yield |
---|---|
Stage #1: trifluoromethylsulfonic anhydride; aniline With 1,4-diaza-bicyclo[2.2.2]octane In acetonitrile at 40℃; under 600.06 - 1725.17 Torr; for 8h; Sealed tube; Large scale; Stage #2: With dmap In dichloromethane; acetonitrile under 450.045 - 1575.16 Torr; for 15h; Sealed tube; Large scale; | 94% |
With triethylamine In dichloromethane at 25℃; for 16h; Inert atmosphere; Industry scale; Cooling with ice; | 86% |
With triethylamine In dichloromethane at 20℃; Cooling with ice; | 86% |
bis(trifluoromethanesulfonyl)amide
benzene
A
N,N-phenylbistrifluoromethane-sulfonimide
Conditions | Yield |
---|---|
at 120℃; Glovebox; | A 7%Spectr. B 93% |
Trifluoromethanesulfonyl fluoride
aniline
N,N-phenylbistrifluoromethane-sulfonimide
Conditions | Yield |
---|---|
Stage #1: Trifluoromethanesulfonyl fluoride; aniline With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 60℃; under 675.068 Torr; for 8h; Sealed tube; Large scale; Stage #2: With dmap In toluene at 60℃; under 750.075 - 1950.2 Torr; for 10h; Pressure; Solvent; Sealed tube; Large scale; | 92.1% |
With dmap; potassium carbonate In dichloromethane at -40 - 0℃; under 150.015 - 750.075 Torr; for 12h; Reagent/catalyst; | 90.7% |
trifluoromethane sulfonyl chloride
N,N-phenylbistrifluoromethane-sulfonimide
Conditions | Yield |
---|---|
In tetrahydrofuran | 60% |
In tetrahydrofuran | 60% |
trifluoromethylsulfonic anhydride
N,N-phenylbistrifluoromethane-sulfonimide
Conditions | Yield |
---|---|
In freon 113=1,1,2-trichloro-trifluoroethane at 95°C; | 34% |
In 1,1,2-Trichloro-1,2,2-trifluoroethane |
benzenediazonium tetrafluoroborate
1-butyl-3-methylimidazolium trifluoromethanesulfonimide
B
N,N-phenylbistrifluoromethane-sulfonimide
Conditions | Yield |
---|---|
With [Bmim][Br] at 24.84℃; for 24h; Kinetics; | |
at 24.84℃; for 24h; Kinetics; |
benzenediazonium tetrafluoroborate
1-butyl-3-methylimidazolium trifluoromethanesulfonimide
B
fluorobenzene
C
N,N-phenylbistrifluoromethane-sulfonimide
Conditions | Yield |
---|---|
at 90℃; for 0.216667h; |
trifluoromethanesulfonic acid anhydride
aniline
N,N-phenylbistrifluoromethane-sulfonimide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at -78 - 20℃; Inert atmosphere; |
trifluoromethane sulfonyl chloride
aniline
N,N-phenylbistrifluoromethane-sulfonimide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 2h; |
N,N-phenylbistrifluoromethane-sulfonimide
methyl 2,2-dimethyl-3-oxobutanoate
methyl 2,2-dimethyl-3-0-(trifluoromethanesulfonate)-but-3-enoate
Conditions | Yield |
---|---|
Stage #1: methyl 2,2-dimethyl-3-oxobutanoate With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 0.25h; Inert atmosphere; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran; hexane at -78℃; for 1.25h; Inert atmosphere; | 100% |
Stage #1: methyl 2,2-dimethyl-3-oxobutanoate With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -20℃; for 0.166667h; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide at -10℃; for 2h; | 87% |
With lithium diisopropyl amide In tetrahydrofuran -78 deg C to RT; | |
Stage #1: methyl 2,2-dimethyl-3-oxobutanoate With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.258333h; Inert atmosphere; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran; hexane Inert atmosphere; |
N,N-phenylbistrifluoromethane-sulfonimide
(1RS,2RS,6SR,7RS,8SR)-7-bromo-3-oxo-1-vinyl-9-azatricyclo[4.4.0.02,8]decane-9-carboxylic acid methyl ester
(1RS,2RS,6SR,7RS,8SR)-7-bromo-3-trifluoromethanesulfonyloxy-1-vinyl-9-azatricyclo[4.4.0.02,8]dec-3-ene-9-carboxylic acid methyl ester
Conditions | Yield |
---|---|
With lithium diisopropyl amide In tetrahydrofuran at -78 - 0℃; | 100% |
Stage #1: (1RS,2RS,6SR,7RS,8SR)-7-bromo-3-oxo-1-vinyl-9-azatricyclo[4.4.0.02,8]decane-9-carboxylic acid methyl ester With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 1h; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran; hexane at -78 - 0℃; |
N,N-phenylbistrifluoromethane-sulfonimide
6-methoxy-3,4-dihydro-1(2H)-naphthalenone
6-methoxy-3,4-dihydronaphthalene-1-yl triflate
Conditions | Yield |
---|---|
Stage #1: 6-methoxy-3,4-dihydro-1(2H)-naphthalenone With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 0.75h; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran at -78 - 0℃; for 3h; | 100% |
With lithium hexamethyldisilazane In tetrahydrofuran at -78 - 20℃; for 16h; Inert atmosphere; | 89% |
Stage #1: 6-methoxy-3,4-dihydro-1(2H)-naphthalenone With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 1h; Inert atmosphere; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran at -78 - 20℃; Inert atmosphere; | 80% |
N,N-phenylbistrifluoromethane-sulfonimide
3-hydroxy-benzeneacetic acid, methyl ester
methyl [3-[[(trifluoromethyl)sulfonyl]oxy]phenyl]-acetate
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane Ambient temperature; | 100% |
N,N-phenylbistrifluoromethane-sulfonimide
2,2-dimethyl-cyclohexanone
6,6-dimethylcyclohex-1-en-1-yl trifluoromethanesulfonate
Conditions | Yield |
---|---|
Stage #1: 2,2-dimethyl-cyclohexanone With lithium diisopropyl amide In tetrahydrofuran at -78℃; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran at -78℃; | 100% |
Stage #1: 2,2-dimethyl-cyclohexanone With lithium diisopropyl amide In tetrahydrofuran at -78℃; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran at -78 - 23℃; | 100% |
Stage #1: 2,2-dimethyl-cyclohexanone With n-butyllithium; diisopropylamine In tetrahydrofuran at -78℃; for 1h; Inert atmosphere; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran at -78 - 20℃; for 2.5h; Inert atmosphere; | 55% |
With lithium diisopropyl amide 1.) THF, -78 deg C, 2 h, 2.) THF, 0 deg C, 12 h; Yield given. Multistep reaction; |
N,N-phenylbistrifluoromethane-sulfonimide
raloxifene
Trifluoro-methanesulfonic acid 6-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-3-trifluoromethanesulfonyloxy-6H-5-oxa-11-thia-benzo[a]fluoren-9-yl ester
Conditions | Yield |
---|---|
With triethylamine; N,N-dimethyl-formamide In tetrahydrofuran for 12h; | 100% |
N,N-phenylbistrifluoromethane-sulfonimide
(4aS,5R,6R,8aS)-5,6,8a-Trimethyl-5-(2-triisopropylsilanyloxy-ethyl)-octahydro-naphthalen-1-one
Trifluoro-methanesulfonic acid (4aS,5R,6R,8aS)-5,6,8a-trimethyl-5-(2-triisopropylsilanyloxy-ethyl)-3,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl ester
Conditions | Yield |
---|---|
With sodium hexamethyldisilazane In tetrahydrofuran at -78℃; for 1h; Esterification; | 100% |
With lithium diisopropyl amide Yield given. Multistep reaction; |
N,N-phenylbistrifluoromethane-sulfonimide
dimethyl 5-iodo-2-{[(trifluoromethyl)sulphonyl]oxy}isophthalate
Conditions | Yield |
---|---|
With triethylamine In acetonitrile at 20℃; for 16h; sulphonylation; | 100% |
N,N-phenylbistrifluoromethane-sulfonimide
2,6-dimethyl-4-nitro phenol
2,6-dimethyl-4-nitrophenyl trifluoromethanesulphonate
Conditions | Yield |
---|---|
With sodium hydride In DMF (N,N-dimethyl-formamide) at 0℃; for 2h; | 100% |
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 8h; Acylation; | 89% |
N,N-phenylbistrifluoromethane-sulfonimide
5-dodecanolide
trifluoro-methanesulfonic acid 6-heptyl-5,6-dihydro-4H-pyran-2-yl ester
Conditions | Yield |
---|---|
With potassium hexamethylsilazane In tetrahydrofuran; toluene at -78℃; for 0.25h; | 100% |
With potassium hexamethylsilazane In tetrahydrofuran; toluene at -78℃; for 0.25h; |
N,N-phenylbistrifluoromethane-sulfonimide
4-(benzo[d]oxazol-2ʹ-yl)-2-methoxyphenol
4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl trifluoromethanesulfonate
Conditions | Yield |
---|---|
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 0.5h; | 100% |
N,N-phenylbistrifluoromethane-sulfonimide
1-(3-methoxy-4-hydroxyphenyl)ethanone
4-acetyl-2-methoxyphenyl trifluoromethanesulfonate
Conditions | Yield |
---|---|
With caesium carbonate In N,N-dimethyl-formamide; acetonitrile at 20℃; for 12h; | 100% |
N,N-phenylbistrifluoromethane-sulfonimide
7-Methoxy-1-tetralone
trifluoromethanesulfonic acid 7-methoxy-3,4-dihydronaphthalen-1-yl ester
Conditions | Yield |
---|---|
Stage #1: 7-Methoxy-1-tetralone With lithium hexamethyldisilazane In tetrahydrofuran at -79℃; for 0.75h; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran at -78 - 0℃; for 3h; | 100% |
With potassium hexamethylsilazane In tetrahydrofuran at -78℃; for 1h; | 96% |
With potassium hexamethylsilazane In tetrahydrofuran at -78℃; for 1.5h; | 96% |
cyclohexanedione monoethylene ketal
N,N-phenylbistrifluoromethane-sulfonimide
1,4-dioxaspiro[4.5]dec-7-en-8-yl trifluoromethanesulfonate
Conditions | Yield |
---|---|
With potassium hexamethylsilazane In tetrahydrofuran; toluene at -78℃; for 4h; | 100% |
With lithium hexamethyldisilazane In tetrahydrofuran at -78 - 20℃; for 0.5h; Inert atmosphere; | 100% |
With lithium hexamethyldisilazane at -78 - 20℃; Inert atmosphere; | 100% |
Norbornan-2-on
N,N-phenylbistrifluoromethane-sulfonimide
2-trifluoromethanesulfonyloxybicyclo[2.2.1]hept-2-ene
Conditions | Yield |
---|---|
Stage #1: Norbornan-2-on With lithium diisopropyl amide In tetrahydrofuran at -78 - 20℃; for 0.5h; Inert atmosphere; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran at -78 - 20℃; for 3h; Inert atmosphere; | 100% |
With n-butyllithium; diisopropylamine In tetrahydrofuran | 59% |
N,N-phenylbistrifluoromethane-sulfonimide
5-(4-hydroxy-phenyl)-pyrrolidin-2-one
γ-4-trifluoromethylsulphonyloxyphenyl-γ-butyrolactam
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; | 100% |
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; | 96% |
N,N-phenylbistrifluoromethane-sulfonimide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 25℃; for 12h; | 100% |
With triethylamine In dichlorometane at 0 - 25℃; for 12h; | 100% |
N,N-phenylbistrifluoromethane-sulfonimide
1-[7-(5-cyanopyridin-2-yl)-5-hydroxybenzothiazol-2-yl]-3-ethylurea
trifluoromethanesulfonic acid 7-(5-cyanopyridin-2-yl)-2-(3-ethylureido)benzothiazol-5-yl ester
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 20℃; for 2h; | 100% |
N,N-phenylbistrifluoromethane-sulfonimide
3-hydroxy-6-methyl-2-(O-tert-butyldimethylsilyl)hydroxymethylpyran-4(1H)-one
6-methyl-2-(O-tert-butyldimethylsilyl)hydroxymethyl-3-trifluoromethanesulfonyloxy-pyran-4(1H)-one
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 1.5h; Inert atmosphere; | 100% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; | |
With potassium carbonate In N,N-dimethyl-formamide for 1.66667h; |
Conditions | Yield |
---|---|
With 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine In tetrahydrofuran at 20℃; | 100% |
N,N-phenylbistrifluoromethane-sulfonimide
2-fluoro-5-(8-fluoro-7-trifluoromethylquinolin-4-yl)phenol
trifluoromethanesulphonic acid 2-fluoro-5-(8-fluoro-7-trifluoromethyl-quinolin-4-yl)phenyl ester
Conditions | Yield |
---|---|
With triethylamine at 20℃; for 16h; | 100% |
N,N-phenylbistrifluoromethane-sulfonimide
methyl 1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
methyl 1-{[(trifluoromethyl)sulphonyl]oxy}-5,6,7,8-tetrahydronaphthalene-2-carboxylate
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine; dmap In dichloromethane at 20℃; for 18.5h; | 100% |
N,N-phenylbistrifluoromethane-sulfonimide
C29H40N2O4
C30H39F3N2O6S
Conditions | Yield |
---|---|
Stage #1: N,N-phenylbistrifluoromethane-sulfonimide; C29H40N2O4 With triethylamine In dichloromethane at 20℃; Stage #2: With sodium hydroxide In dichloromethane; water at 20℃; for 0.5h; | 100% |
2-methoxy-8-hydroxyquinoline
N,N-phenylbistrifluoromethane-sulfonimide
1,1,1-trifluoromethanesulfonic acid 2-methoxyquinolin-8-yl ester
Conditions | Yield |
---|---|
With triethylamine In DMF (N,N-dimethyl-formamide) at 40℃; for 8h; | 100% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; | 100% |
N,N-phenylbistrifluoromethane-sulfonimide
tert-butyl 5-(methoxymethoxy)-4-(trifluoromethylsulfonyloxy)spiro[chromene-2,4'-piperidine]-1'-carboxylate
Conditions | Yield |
---|---|
Stage #1: tert-butyl 5-(methoxymethoxy)-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 1h; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran at -78 - 20℃; for 12h; | 100% |
N,N-phenylbistrifluoromethane-sulfonimide
C23H22F3NO5S
Conditions | Yield |
---|---|
Stage #1: benzyl 4-oxo-3,4-dihydro-1H-spiro[naphthalene-2,4'-piperidine]-1'-carboxylate With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 0.75h; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran at -78 - 20℃; for 2.5h; | 100% |
N,N-phenylbistrifluoromethane-sulfonimide
(3R,4S)-3-[(3S)-3-{[tert-butyl(dimethyl)silyl]oxy}-3-(4-fluorophenyl)propyl]-4-(3'-hydroxybiphenyl-4-yl)-1-phenylazetidin-2-one
4'-{(2S,3R)-3-[(3S)-3-{[tert-butyl(dimethyl)silyl]oxy}-3-(4-fluorophenyl)propyl]-4-oxo-1-phenylazetidin-2-yl}biphenyl-3-yl trifluoromethanesulfonate
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane at 20℃; for 2h; | 100% |
N,N-phenylbistrifluoromethane-sulfonimide
2-({4-[(4-fluorophenyl)amino]-1-piperidinyl}carbonyl)-3-pyridinol
2-({4-[(4-fluorophenyl)amino]-1-piperidinyl}carbonyl)-3-pyridinyl trifluoromethanesulfonate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane | 100% |
With triethylamine In dichloromethane at 20℃; | |
With triethylamine In dichloromethane at 20℃; |
N,N-phenylbistrifluoromethane-sulfonimide
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide | 100% |
Product Name: N-Phenylbis(trifluoromethanesulphonimide) (CAS NO.37595-74-7)
Molecular Formula: C8H5F6NO4S2
Molecular Weight: 357.25g/mol
Mol File: 37595-74-7.mol
Appearance: white to off-white crystalline powder
Melting Point: 100-102 °C
Boiling point: 305.3 °C at 760 mmHg
Flash Point: 138.4 °C
Density: 1.766 g/cm3
Surface Tension: 44.6 dyne/cm
Enthalpy of Vaporization: 54.57 kJ/mol
Vapour Pressure: .000828 mmHg at 25°C
XLogP3-AA: 3.1
H-Bond Donor: 0
H-Bond Acceptor: 11
Structure Descriptors of N-Phenylbis(trifluoromethanesulphonimide) (CAS NO.37595-74-7):
IUPAC Name: 1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
Canonical SMILES: C1=CC=C(C=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChI: InChI=1S/C8H5F6NO4S2/c9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14/h1-5H
InChIKey: DIOHEXPTUTVCNX-UHFFFAOYSA-N
Product Categories: API intermediates
Safety Information of N-Phenylbis(trifluoromethanesulphonimide) (CAS NO.37595-74-7):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 21
Hazard Note: Irritant
HazardClass: IRRITANT
N-Phenylbis(trifluoromethanesulphonimide) , its CAS NO. is 37595-74-7, the synonyms are 1,1,1-Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide ; N,N-Bis(trifluoromethylsulfonyl)aniline .
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