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
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
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.
N-Bromosuccinimide Price
- 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
- 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
- Product number
- CM196672
- Product name
- tert-Butyl3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate
- Purity
- 95%
- Packaging
- 1g
- Price
- $464
- Updated
- 2021/12/16
- Product number
- CD11084210
- Product name
- tert-Butyl3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate
- Purity
- 95+%
- Packaging
- 1g
- Price
- $491
- Updated
- 2021/12/16
- Product number
- A134983
- Product name
- tert-Butyl3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate
- Purity
- 98+%
- Packaging
- 1g
- Price
- $507
- Updated
- 2021/12/16
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
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