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[ CAS No. 248588-33-2 ]

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Chemical Structure| 248588-33-2
Chemical Structure| 248588-33-2
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Product Details of [ 248588-33-2 ]

CAS No. :248588-33-2 MDL No. :MFCD07374443
Formula : C10H9FO2 Boiling Point : 314.3°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :180.18 g/mol Pubchem ID :6484221
Synonyms :

Safety of [ 248588-33-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 248588-33-2 ]

  • Downstream synthetic route of [ 248588-33-2 ]

[ 248588-33-2 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 501-00-8 ]
  • [ 107-04-0 ]
  • [ 248588-33-2 ]
YieldReaction ConditionsOperation in experiment
To a mixture of 5.8 mL (50 mmol) of 3- fluorophenylacetonitrile (5), 8.3 mL (100 mmol) of 1- bromo-2-chloroethane, and 0.23 g (1.0 mmol) of benzyltriethylammonium chloride was added 28 mL of 50% aqueous sodium hydroxide solution, and the resulting mixture was stirred at 40C for 3 hours [M. FEDORYNSKI and A. JONCZYK Org. Prep. Proc. Intl. (1995) 27,355- 3591. At this point 25 mL of ethylene glycol was added, and the mixture then was stirred at 100C for another 20 hours. After cooling to room temperature, the reaction mixture was diluted with water and then washed with ethyl acetate. The aqueous phase was adjusted to pH 2 employing hydrochloric acid and then extracted with diethyl ether. The combined extracts were washed with water and brine, dried over anhydrous sodium sulfate, filtered, and concentrated to provide 8.1 g of 1- (3- fluorophenyl) cyclopropane-l-carboxylic acid (6). NMR (300 MHz, DMSO-D6) 12.41 (br s, 1 H), 7.37-7. 29 (m, 1 H), 7.18-7. 03 (m, 3 H), 1.45 (d of d, 2 H), 1.17 (d of d, 2 H).
  • 2
  • [ 248588-33-2 ]
  • [ 764647-70-3 ]
YieldReaction ConditionsOperation in experiment
Stage #1: 1-(3-fluorophenyl)cyclopropane-1-carboxylic acid With diphenyl phosphoryl azide; triethylamine In toluene at 20℃; for 3h; Heating / reflux; Stage #2: With <i>tert</i>-butyl alcohol for 20h; Heating / reflux; 2 Preparation of N-Boc-N-[1-(3-fluorophenyl)-1-cyclopropyl]glycine (3) To a solution of 8.0 g (45 mmol) of 1- (3- fluorophenyl) cyclopropane-l-carboxylic acid (6) in 250 mL of toluene at room temperature was added 6.9 mL (150 mmol) of triethylamine followed by 9.7 mL (45 mmol) of diphenylphosphoryl azide. The resulting mixture was stirred at room temperature for 0.5 hour, heated slowly to reflux over 0.5 hour, and then heated at reflux for 2 hours. The mixture was allowed to cooled to 40 °C, 25 mL of tert-butanol was added, and the resulting mixture was heated at reflux for another 20 hours. After cooling the mixture was concentrated under vacuum, and the residue was dissolved in diethyl ether. This solution was washed with saturated aqueous sodium bicarbonate solution, water, and brine, dried over anhydrous sodium sulfate, filtered, and concentrated. The residue was dissolved in hot hexane, and the solution was filtered. The filtrate then was concentrated under vacuum to afford 11 g of product.
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