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Chemical Structure| 113898-56-9

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CAS No.: 113898-56-9

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Product Details of [ 113898-56-9 ]

CAS No. :113898-56-9
Formula : C8H8FNO2
M.W : 169.15
SMILES Code : O=C(OCC)C1=C(F)N=CC=C1
MDL No. :MFCD14698241
InChI Key :AKVVBYDLMJMJRW-UHFFFAOYSA-N
Pubchem ID :14296371

Safety of [ 113898-56-9 ]

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

Application In Synthesis of [ 113898-56-9 ]

* 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 [ 113898-56-9 ]

[ 113898-56-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 280-13-7 ]
  • [ 113898-56-9 ]
  • methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)nicotinate [ No CAS ]
YieldReaction ConditionsOperation in experiment
42% With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; at 100℃; for 1h;Microwave irradiation; Step 1a. To a solution of ethyl 2-fluoronicotinate (0.15 g, 0.97 mmol) in NMP (0.5 mL) was added diisopropylethyl amine (0.50 mL, 2.9 mmol), and 8-oxa-3-azabicyclo[3.2.1]octane (0.17 g, 0.72 mmol). The resulting mixture was irradiated with microwaves (100 C.) for 1 h and loaded directly onto a silica column. Eluting the column with EtOAc/hexanes (0-100%) provided methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)nicotinate as a clear oil (0.100 g, 42% yield). MS (ES) for C13H16N2O3: 249 (MH+).
 

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