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[ CAS No. 505082-91-7 ]

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2D
Chemical Structure| 505082-91-7
Chemical Structure| 505082-91-7
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Product Details of [ 505082-91-7 ]

CAS No. :505082-91-7MDL No. :MFCD06410386
Formula : C12H8FNO2 Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :217.20Pubchem ID :24729971
Synonyms :

Computed Properties of [ 505082-91-7 ]

TPSA : 50.2 H-Bond Acceptor Count : 4
XLogP3 : 2.1 H-Bond Donor Count : 1
SP3 : 0.00 Rotatable Bond Count : 2

Safety of [ 505082-91-7 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 505082-91-7 ]

  • Upstream synthesis route of [ 505082-91-7 ]
  • Downstream synthetic route of [ 505082-91-7 ]

[ 505082-91-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 1033844-92-6 ]
  • [ 505082-91-7 ]
YieldReaction ConditionsOperation in experiment
98% With trifluoroacetic acid In dichloromethane at 0 - 20℃; To tert-butyl 6-(2-fluorophenyl)nicotinate (479 mg, 1.75 mmol) in DCM (12 mL) at 0° C. was added TFA (2.5 mL). After stirring at rt overnight, toluene was added (10 mL) and the solvent removed to give a white solid (375 mg, 98percent), 6-(2-fluorophenyl)nicotinic acid. LC/MS (M+H) =218.0 observed, 218.06 expected.
Reference: [1] Patent: US2008/146569, 2008, A1, . Location in patent: Page/Page column 143
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