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
- Molecular Weight:
- 317.28
- MDL Number:
- MFCD23135802
- MOL File:
- 630121-86-7.mol
- MSDS File:
- SDS
| 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 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H332-H335 |
| Precautionary statements | P261-P280-P305+P351+P338 |
tert-Butyl 3-(((trifluoroMethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate price More Price(24)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Matrix Scientific | 093374 | tert-Butyl 3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate | 630121-86-7 | 100.00mg | $79 | 2026-05-18 | Buy |
| Matrix Scientific | 093374 | tert-Butyl 3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate | 630121-86-7 | 250.00mg | $95 | 2026-05-18 | Buy |
| Matrix Scientific | 093374 | tert-Butyl 3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate | 630121-86-7 | 1.00g | $279 | 2026-05-18 | Buy |
| aablocks | AA00EKHK | tert-Butyl 3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate 95% | 630121-86-7 | 100mg | $48 | 2026-05-28 | Buy |
| aablocks | AA00EKHK | tert-Butyl 3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate 95% | 630121-86-7 | 250mg | $96 | 2026-05-28 | Buy |
tert-Butyl 3-(((trifluoroMethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate Chemical Properties, Uses, Production
Synthesis
![2-[N,N-BIS(TRIFLUOROMETHANESULFONYL)AMINO]-5-CHLOROPYRIDINE](/CAS/GIF/145100-51-2.gif)
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
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