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1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulfonate

CAS No.
138647-49-1
Chemical Name:
1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulfonate
Synonyms
1(2H)-Pyridinecarboxylic ...;1-Boc-1,2,3,6-tetrahydropyridin-4-;N-Boc-4-trifluoromethanesulfonyloxy-3,6-dihydro-2H-pyridine;Tert-butyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2h-pyr;1-Boc-4-(trifluoromethylsulfonyloxy)-5,6-dihydro-2H-pyridine;1-Boc-4-(trifluoromethanesulfonyloxy)-3,6-dihydro-2H-pyridine;1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluo...;4-[(trifluoromethyl)sulfonyloxy]-5,6-dihydropyridine-1(2H)-carboxylate;1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulfonate;TERT-BUTYL 4-(TRIFLUOROMETHYLSULFONYLOXY)-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
CBNumber:
CB2970879
Molecular Formula:
C11H16F3NO5S
Molecular Weight:
331.31
MDL Number:
MFCD09997858
MOL File:
138647-49-1.mol
MSDS File:
SDS
Last updated:2026-05-28 00:52:42

1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulfonate Properties

Boiling point 361.2±42.0 °C(Predicted)
Density 1.40±0.1 g/cm3(Predicted)
storage temp. Inert atmosphere,Store in freezer, under -20°C
pka -3.55±0.40(Predicted)
form solid
color Beige
InChI InChI=1S/C11H16F3NO5S/c1-10(2,3)19-9(16)15-6-4-8(5-7-15)20-21(17,18)11(12,13)14/h4H,5-7H2,1-3H3
InChIKey WUBVEMGCQRSBBT-UHFFFAOYSA-N
SMILES C1N(C(OC(C)(C)C)=O)CC=C(OS(C(F)(F)F)(=O)=O)C1
CAS DataBase Reference 138647-49-1

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302+H312+H332-H315-H319-H335
Precautionary statements  P260-P271-P280
HS Code  2933399990

1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulfonate price More Price(40)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
AstaTech 21066 N-BOC-4-TRIFLUOROMETHANESULFONYLOXY-3,6-DIHYDRO-2H-PYRIDINE 97% 138647-49-1 1G $25 2026-04-30 Buy
AstaTech 21066 N-BOC-4-TRIFLUOROMETHANESULFONYLOXY-3,6-DIHYDRO-2H-PYRIDINE 97% 138647-49-1 5G $85 2026-04-30 Buy
AstaTech 21066 N-BOC-4-TRIFLUOROMETHANESULFONYLOXY-3,6-DIHYDRO-2H-PYRIDINE 97% 138647-49-1 25G $299 2026-04-30 Buy
Apolloscientific PC200076 1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulphonate 97% 138647-49-1 1g $21 2026-06-04 Buy
Apolloscientific PC200076 1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulphonate 97% 138647-49-1 5g $41 2026-06-04 Buy
Product number Packaging Price Buy
21066 1G $25 Buy
21066 5G $85 Buy
21066 25G $299 Buy
PC200076 1g $21 Buy
PC200076 5g $41 Buy

1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulfonate Chemical Properties, Uses, Production

Synthesis

N-Phenyl-bis(trifluoromethanesulfonimide)

37595-74-7

1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulfonate

138647-49-1

The general procedure for the synthesis of tert-butyl 4-(((trifluoromethyl)sulfonyl)oxy)-5,6-dihydropyridine-1(2H)-carboxylate from N-phenylbis(trifluoromethylsulfonyl)imide was as follows: diisopropylamine (22 ml) was dissolved in anhydrous THF (125 ml) and the solution was cooled down to -78 °C. Slowly add n-butyllithium (62.5 ml, 2.5 M hexane solution). After stirring for 15 min, a solution of tert-butyl 4-oxopiperidine-1-carboxylate (28.32 g) in THF (100 ml) was added dropwise. The reaction mixture was continued to be stirred at -78 °C for 1 h followed by dropwise addition of THF (150 ml) solution of N-phenyl trifluoromethanesulfonimide (53.8 g). The reaction mixture was stirred at -78 °C for 2 h. The mixture was slowly warmed to room temperature and stirred overnight. After completion of the reaction, the mixture was concentrated in vacuum and the residue was dissolved in ether (1000 ml). The organic layer was washed sequentially with water (500 ml), 2M sodium hydroxide solution (3 x 500 ml), water (500 ml) and brine (500 ml), then dried with magnesium sulfate, and concentrated to give tert-butyl 4-(((trifluoromethyl)sulfonyl)oxy)-5,6-dihydropyridine-1(2H)-carboxylate as a light brown oil (45.38 g, 96% yield). It could be used in the subsequent reaction without further purification. The product was confirmed by 1H NMR (CDCl3): δ1.48 (9H, s), 2.44 (2H, m), 3.63 (2H, t), 4.00 (2H, q), 5.70 (1H, br).

References

[1] Patent: WO2007/60409, 2007, A1. Location in patent: Page/Page column 87-88
[2] Patent: WO2003/87057, 2003, A1. Location in patent: Page/Page column 77-78
[3] Patent: WO2006/4532, 2006, A1. Location in patent: Page/Page column 25
[4] Patent: WO2007/92435, 2007, A2. Location in patent: Page/Page column 143-143
[5] Patent: WO2004/35549, 2004, A1. Location in patent: Page 127

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View Latest Price from 1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulfonate manufacturers

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1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulfonate pictures 2019-07-06 1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulfonate
138647-49-1
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1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulfonate Spectrum

138647-49-1 (1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulfonate) Related Search:

1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulfonate TERT-BUTYL 4-(TRIFLUOROMETHYLSULFONYLOXY)-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE 3,6-Dihydro-4-[[(trifluoromethyl)sulfonyl]oxy]-1(2H)-pyridinecarboxylic acid tert-butyl ester 1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydro-4-[[(trifluoromethyl)sulfonyl]oxy]pyridine tert-Butyl 4-(trifluoromethanesulfonyloxy)-1,2,3,6-tetrahydropyridine-1-carboxylate Tert-butyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2h-pyr 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-[[(trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester N-Boc-4-trifluoromethanesulfonyloxy-3,6-dihydro-2H-pyridine 4-[(trifluoromethyl)sulfonyloxy]-5,6-dihydropyridine-1(2H)-carboxylate tert-Butyl-4{[(trifluoroMethyl)sulfonyl]oxy}-1,2,3,6-tetrahydro-1-pyridinecarboxylate 1(2H)-Pyridinecarboxylic ... tert-Butyl 4-[(trifluoromethane)sulphonyloxy]-1,2,3,6-tetrahydropyridine-1-carboxylate 4-Trifluoromethanesulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester 1-Boc-4-(trifluoromethanesulfonyloxy)-3,6-dihydro-2H-pyridine 1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulphonate tert-butyl4-(((trifluoromethyl)sulfonyl)oxy)-3,6-dihydropyridine-1(2H)-carboxylate 1-(tert-Butoxycarbonyl)-4-(trifluoromethanesulfonyloxy)-3,6-dihydro-2H-pyridine 1-Boc-1,2,3,6-tetrahydropyridin-4- tert-butyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate 1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluo... 1-Boc-4-(trifluoromethylsulfonyloxy)-5,6-dihydro-2H-pyridine 138647-49-1 138647-49-4 C11H16F3NO5S