3-acetylbenzaldehyde → HCID 178477494, compound

HRID 2059383Notes

Reaction equation

HRID 2059383 reaction equation
CC(=O)c1cccc(C=O)c1.CCSC(=O)CC(=O)O>NCc1ccccc1.O=C(O)C(F)(F)F.CN(C)c1ccncc1.C1CCOC1>CCSC(=O)/C=C/c1cccc(C(C)=O)c1

Participants

6

Reactant 2

HCID 6434363-acetylbenzaldehydeHCID 127870873-Ethylsulfanyl-3-oxopropanoic acid

Product 1

HCID 178477494HCID 178477494, compoundYield 78%

Reagents, catalysts & solvents 3

HCID 142844-(Dimethylamino)pyridineReagentHCID 12484433Benzenemethanamine, trifluoroacetateCatalystHCID 8028TetrahydrofuranSolvent

Conditions

Temperature
50 °C

Workup

  1. temperatureThe product mixture was cooled to 25 °C.
  2. filtrationFiltered through a pad of celite · Keep Organic
  3. wash"The celite was washed with ethyl acetate (3 x 1 mL)."
  4. concentrationThe filtrate was concentrated under reduced pressure
  5. additionA 0.07 M stock solution of the internal standard ethylene carbonate (0.70 mL in CDCl3) was added.

Sources & evidence

ORD record
ord-a967b839aa5b4eee81f53d3b81529174
Source dataset
Transfer learning optimization of 26 decarboxylative olefination reactions

Reaction notes

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