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Chemical Structure| 1003-04-9 Chemical Structure| 1003-04-9
Chemical Structure| 1003-04-9

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CAS No.: 1003-04-9

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Tetrahydrothiophen-3-one is an endogenous metabolite.

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Product Details of Tetrahydrothiophen-3-one

CAS No. :1003-04-9
Formula : C4H6OS
M.W : 102.15
SMILES Code : O=C1CSCC1
MDL No. :MFCD00005412
InChI Key :DSXFPRKPFJRPIB-UHFFFAOYSA-N
Pubchem ID :61252

Safety of Tetrahydrothiophen-3-one

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of Tetrahydrothiophen-3-one

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1003-04-9 ]

[ 1003-04-9 ] Synthesis Path-Downstream   1~2

  • 2
  • [ 1003-04-9 ]
  • [ 1065181-58-9 ]
  • [ 1065181-97-6 ]
YieldReaction ConditionsOperation in experiment
47% Intermediate 25:Ethyl 5-bromo-3-(tetrahydro-3-thienyl)-1H-indole-7-carboxylate.Dihydro-3(2H)-thiophenone (0.381 g, 3.73mmol) was dissolved in dichloromethane (50ml) in an oven dried flask containing 3A molecular sieves and stirred under Argon at O0C. TMS-OTf (0.826g, 3.73mmol, 0.67 ml.) was added slowly to the mixture over 10 min. Ethyl 5-bromo-1 /-/-indole-7-carboxylate (1 g, 3.73mmol) was dissolved in DCM (6 ml.) and added to the reaction via syringe pump over 2 hours, after which it was stirred for 30 min at 0 0C. Triethylsilane (0.651 g, 0.89ml, 5.59mmol) was then added all at once and the reaction was stirred at room temperature for 18 hours. The reaction was then quenched with a saturated sodium bicarbonate solution (35 ml.) and extracted with DCM (2 x 50 ml_). The combined organics were washed with water (2 x 100 ml_), brine, dried with MgSO4, and concentrated. The crude compound was purified on Combiflash silica column with 10% EA/Hexane to give 0.62Og (47%) of the title compound. LCMS m/z =355 (M+H), RT = 1.34 min.
 

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