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[ CAS No. 261762-51-0 ]

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2D
Chemical Structure| 261762-51-0
Chemical Structure| 261762-51-0
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Product Details of [ 261762-51-0 ]

CAS No. :261762-51-0MDL No. :MFCD01631330
Formula : C6H3ClF2O Boiling Point : 168.3°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :164.54Pubchem ID :-
Synonyms :

Computed Properties of [ 261762-51-0 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 261762-51-0 ]

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 [ 261762-51-0 ]

  • Downstream synthetic route of [ 261762-51-0 ]

[ 261762-51-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 4341-76-8 ]
  • [ 261762-51-0 ]
  • [ 1191997-71-3 ]
YieldReaction ConditionsOperation in experiment
84% With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran Reflux; 72 (S)-2-[4-(3-Chloro-2,6-difluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-propionamide Example 72 (S)-2-[4-(3-Chloro-2,6-difluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-propionamide To a stirred mixture of 3-chloro-2,6-difluoro-phenol (4.60 g, 28.0 mmol) and ethyl-2-butynoate (6.30 g, 56.0 mmol) in tetrahydrofuran (30 mL) was added 1,8-diazabicyclo[5.4.0]undec-7-ene slowly (4.30 g, 28.0 mmol). After addition was complete the mixture was stirred at reflux for 4 h. Upon completion of the reaction the tetrahydrofuran was removed in vacuo and the residue was diluted in diethyl ether and washed with 1N aqueous hydrochloric acid, 10% aqueous sodium hydroxide solution, a saturated sodium chloride solution and dried over magnesium sulfate. The crude product obtained was purified by ISCO flash chromatography (Teledyne Isco RediSep Flash Column 120 g, 0% to 20% ethyl acetate/hexanes) to afford, (E)-3-(3-chloro-2,6-difluoro-phenoxy)-but-2-enoic acid ethyl ester (6.44 g, 84%) as a colorless oil: 1H NMR (300 MHz, CDCl3) δ ppm 1.25 (t, J=7.0 Hz, 3H), 2.54 (s, 3H), 4.13 (q, J=7.0 Hz, 2H), 4.90 (s, 1H), 6.98 (td, J=9.2, 2.1 Hz, 1H), 7.15-7.33 (m, 1H).
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