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ChemicalBook--->CAS DataBase List--->573987-48-1

573987-48-1

573987-48-1 Structure

573987-48-1 Structure
IdentificationBack Directory
[Name]

1-(cyanoMethyl)pyrrolidiniuM trifluoroMethanesulfonate
[CAS]

573987-48-1
[Synonyms]

N-Cyanomethylpyrrolidinium triflate
N-Cyanomethylpyrrolidinium trifluoromethanesulfonate
1-(cyanoMethyl)pyrrolidiniuM trifluoroMethanesulfonate
[Molecular Formula]

C7H11F3N2O3S
[MDL Number]

MFCD23726589
[MOL File]

573987-48-1.mol
[Molecular Weight]

260.234
Chemical PropertiesBack Directory
[storage temp. ]

Inert atmosphere,2-8°C
[InChI]

InChI=1S/C6H10N2.CHF3O3S/c7-3-6-8-4-1-2-5-8;2-1(3,4)8(5,6)7/h1-2,4-6H2;(H,5,6,7)
[InChIKey]

ONSASHBHHZNQQZ-UHFFFAOYSA-N
[SMILES]

[NH+]1(CC#N)CCCC1.C(F)(F)(F)S([O-])(=O)=O
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
Hazard InformationBack Directory
[Synthesis]

(1-PYRROLIDINO)ACETONITRILE

29134-29-0

Trifluoromethanesulfonic acid

1493-13-6

1-(cyanoMethyl)pyrrolidiniuM trifluoroMethanesulfonate

573987-48-1

1. In a dry reaction flask, 0.551 g (5.00 mmol) N-cyanomethylpyrrolidine was dissolved in 5.00 mL of dichloromethane. 2. The reaction system was cooled to 0°C and 0.442 mL (5.00 mmol) of trifluoromethanesulfonic acid was slowly added dropwise. 3. After the dropwise addition was completed, the reaction mixture was stirred at room temperature for 1 hour. 4. 10 mL of ether was added to the reaction mixture and a white solid precipitated. 5. The solid product was collected by vacuum filtration and washed with ether (1 mL × 3 times). 6. The resulting solid was dried under reduced pressure to give 1.11 g of white powdered 1-(cyanomethyl)pyrrolidine-1-trifluoromethanesulfonate (4.27 mmol, 85% yield). 7. The product was characterized by IR. 7. Product characterization: IR (KBr) νmax: 2996, 2841, 2651, 2477, 2347, 2282, 1637, 1462, 1437, 1269, 1228, 1168, 1033, 985, 911, 849, 761, 641 cm-1; 1H-NMR (300 MHz, CD3CN) δ: 8.16 (br, 1H-NMR). 8.16 (br, 1H), 4.30 (s, 2H), 3.50 (br, 4H), 2.14-2.09 (m, 4H); 13C-NMR (75 MHz, CD3CN) δ: 121.2 (q, JCF = 320 Hz), 55.9, 42.0, 23.5.

[References]

[1] Patent: WO2005/14609, 2005, A2. Location in patent: Page/Page column 16
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