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tert-Butyl 3-(((trifluoroMethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate

Product Name
tert-Butyl 3-(((trifluoroMethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate
CAS No.
630121-86-7
Chemical Name
tert-Butyl 3-(((trifluoroMethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate
Synonyms
1-Boc-3-[[(trifluoromethyl)sulfonyl]oxy]-2,5-dihydropyrrole;tert-Butyl 3-(((trifluoroMethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate;TERT-BUTYL 3-(((TRIFLUOROMETHYL)SULFONYL)OXY)-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXYLATE (CAS# 630121-86-7);1H-Pyrrole-1-carboxylic acid, 2,5-dihydro-3-[[(trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester
CBNumber
CB72665844
Molecular Formula
C10H14F3NO5S
Formula Weight
317.28
MOL File
630121-86-7.mol
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tert-Butyl 3-(((trifluoroMethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate Property

Boiling point:
344.6±42.0 °C(Predicted)
Density 
1.43±0.1 g/cm3(Predicted)
pka
-4.36±0.40(Predicted)
InChI
InChI=1S/C10H14F3NO5S/c1-9(2,3)18-8(15)14-5-4-7(6-14)19-20(16,17)10(11,12)13/h4H,5-6H2,1-3H3
InChIKey
FXWRRWKJFCPRBG-UHFFFAOYSA-N
SMILES
N1(C(OC(C)(C)C)=O)CC=C(OS(C(F)(F)F)(=O)=O)C1
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

AK Scientific
Product number
9561AB
Product name
tert-Butyl3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate
Packaging
250mg
Price
$244
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
HCH0369913
Product name
TERT-BUTYL-3-(((TRIFLUOROMETHYL)SULFONYL)OXY)-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXYLATE
Purity
95.00%
Packaging
250MG
Price
$307.65
Updated
2021/12/16
Ambeed
Product number
A134983
Product name
tert-Butyl3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate
Purity
98+%
Packaging
100mg
Price
$95
Updated
2021/12/16
Crysdot
Product number
CD11084210
Product name
tert-Butyl3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate
Purity
95+%
Packaging
100mg
Price
$123
Updated
2021/12/16
Ambeed
Product number
A134983
Product name
tert-Butyl3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate
Purity
98+%
Packaging
250mg
Price
$142
Updated
2021/12/16
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tert-Butyl 3-(((trifluoroMethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate Chemical Properties,Usage,Production

Synthesis

145100-51-2

101385-93-7

630121-86-7

Part A: Synthesis of tert-butyl 3-(trifluoromethylsulfonyloxy)-2,5-dihydro-1H-pyrrole-1-carboxylate 1. 1-tert-butoxycarbonyl-3-pyrrolidinone (370 mg, 2.0 mmol) was dissolved in THF (15 ml) at -78 °C. 2. lithium bis(trimethylmethylsilyl)amide (1M solution in THF, 2.2 ml, 2.2 mmol) was added slowly and the reaction mixture was stirred for 1 h at this temperature. 3. A solution of 2-[N,n-bis(trifluoromethanesulfonyl)amino]-5-chloropyridine (864 mg, 2.2 mmol) in THF (20 ml) was added dropwise. 4. the reaction mixture was continued to be stirred for 0.5 h, followed by a slow warming up to room temperature over a period of 3 h. The reaction was carried out by stirring. 5. The reaction was quenched with saturated sodium bicarbonate solution. 6. The reaction mixture was diluted with ethyl acetate and washed sequentially with 15% potassium bisulfate solution, saturated sodium bicarbonate solution, 1N sodium hydroxide solution, water and brine. 7. The organic layers were combined, dried with magnesium sulfate and concentrated in vacuum. 8. purification by fast chromatography (silica gel, 10% ethyl acetate/hexane) afforded tert-butyl 3-(trifluoromethylsulfonyloxy)-2H-pyrrole-1(5H)-carboxylate as a colorless oil (214 mg, 34% yield).

References

[1] Patent: US2006/235037, 2006, A1. Location in patent: Page/Page column 60
[2] Patent: WO2010/51245, 2010, A1. Location in patent: Page/Page column 50
[3] Patent: WO2010/77624, 2010, A1. Location in patent: Page/Page column 48

tert-Butyl 3-(((trifluoroMethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate Preparation Products And Raw materials

Raw materials

Preparation Products

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tert-Butyl 3-(((trifluoroMethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate Suppliers

China 26 India 1 United States 2 Global 29
Combi-Blocks Inc.
Tel
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sales@combi-blocks.com
Country
United States
ProdList
6618
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Matrix Scientific
Tel
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Email
sales@matrixscientific.com
Country
United States
ProdList
6632
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80

630121-86-7, tert-Butyl 3-(((trifluoroMethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylateRelated Search:


  • tert-Butyl 3-(((trifluoroMethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate
  • 1H-Pyrrole-1-carboxylic acid, 2,5-dihydro-3-[[(trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester
  • TERT-BUTYL 3-(((TRIFLUOROMETHYL)SULFONYL)OXY)-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXYLATE (CAS# 630121-86-7)
  • 1-Boc-3-[[(trifluoromethyl)sulfonyl]oxy]-2,5-dihydropyrrole
  • 630121-86-7
  • C10H14F3NO5S