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Chemistry
Heterocyclic Building Blocks
Pyrrolidines
(4-Bromo-3-fluorophenyl)(pyrrolidin-1-yl)methanone
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyrrolidines
Aryls Bromides Fluorinated Building Blocks Amides

[ CAS No. 1022931-81-2 ] {[proInfo.proName]}

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Chemical Structure| 1022931-81-2
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CAS No. :1022931-81-2 MDL No. :MFCD16084861
Formula : C11H11BrFNO Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 272.11 Pubchem ID :-
Synonyms :

Safety of [ 1022931-81-2 ]

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Application In Synthesis of [ 1022931-81-2 ]

* 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 [ 1022931-81-2 ]

[ 1022931-81-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 123-75-1 ]
  • [ 153556-42-4 ]
  • [ 1022931-81-2 ]
YieldReaction ConditionsOperation in experiment
86% A suspension of <strong>[153556-42-4]4-bromo-3-fluorobenzoic acid</strong> (1.09g, 5mmol) in dichloromethane (15ml) was treated with 1 ,1 '-carbonyldiimidazole (810mg, 5mmol) in one portion and allowed to stir at room temperature for 15 minutes. Pyrrolidine (355mg, 5mmol) was then added and stirring continued for 1 hour. The reaction mixture was washed with saturated sodium bicarbonate solution. The organic layer was dried over sodium sulphate and concentrated by rotary evaporation to give the title compound as a yellow oil (1.17g, 86%).LC/MS (ES): Found 272 & 274 (ES+), retention time 2.55mins. C11H11BrFNO requires 271 & 273.1 H-NMR (400MHz, CDCI3): 1.87-2.01 (4H, m), 3.42 (2H, m), 3.63 (2H, m), 7.16 (1 H, m), 7.29 (1 H, m), 7.51 (1 H, m).
86% A suspension of <strong>[153556-42-4]4-bromo-3-fluorobenzoic acid</strong> (1.09 g, 5 mmol) in dichloromethane (15 ml) was treated with 1,1'-carbonyldiimidazole (810 mg, 5 mmol) in one portion and allowed to stir at room temperature for 15 minutes. Pyrrolidine (355 mg, 5 mmol) was then added and stirring continued for 1 hour. The reaction mixture was washed with saturated sodium bicarbonate solution. The organic layer was dried over sodium sulphate and concentrated by rotary evaporation to give the title compound as a yellow oil (1.17 g, 86%).1H-NMR (400 MHz, CDCl3) delta: 7.51 (1H, m), 7.29 (1H, m), 7.16 (1H, m), 3.63 (2H, m), 3.42 (2H, m), 1.87-2.01 (4H, m); LC/MS Retention time 2.55 mins/(ES+) 272 & 274 (M+H, C11H11BrFNO requires 271 & 273).
Reference： [1]Organic Process Research and Development,2011,vol. 15,p. 438 - 442
[2]Patent: WO2008/110566,2008,A1 .Location in patent: Page/Page column 31
[3]Patent: US2010/137276,2010,A1 .Location in patent: Page/Page column 21
  • 2
  • [ 1022931-81-2 ]
  • [ 1022931-45-8 ]
  • [ 1022930-95-5 ]
YieldReaction ConditionsOperation in experiment
10% With potassium carbonate In dimethyl sulfoxide at 190℃; for 1h; Microwave irradiation; 26 1-[2-fluoro-4-(1-pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole A mixture of 1-[(4-bromo-3-fluorophenyl)carbonyl]pyrrolidine (D22, 190 mg, 0.7 mmol), 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (D4, 134 mg, 0.7 mmol), copper (I) iodide (10 mol %, 0.07 mmol, 13 mg), N,N-dimethylglycine (20 mol %, 0.14 mmol, 14 mg) and potassium carbonate (193 mg, 1.4 mmol) in dimethylsulfoxide (3 ml) was stirred at 190° C. in a microwave reactor for 0.5 hours. The reaction mix was treated with further copper (I) iodide (10 mol %, 0.07 mmol, 13 mg) and N,N-dimethylglycine (20 mol %, 0.14 mmol, 14 mg) and heating continued at 190° C. in a microwave reactor for 0.5 hours. Then the reaction mix was partitioned between water (5 ml) and dichloromethane (2*3 ml). The organic fractions were added to a 5 g isolute pre-packed silica column and eluted with ethyl acetate. The solvent was removed by rotary evaporation and the residue purified by mass directed auto-preparation to give the title compound as a brown oil (26 mg, 10%). 1H-NMR (400 MHz, CDCl3) δ: 7.57 (2H, m), 7.45 (1H, m), 4.81 (2H, s), 3.94 (2H, m), 3.66 (2H, t, J=6 Hz), 3.45 (2H, m), 2.90 (1H, m), 2.71 (1H, m), 2.07-1.87 (4H, m); LC/MS Retention time 2.83 mins/(ES+) 384 (M+H, C18H17F4N3O2requires 383).
Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - US2010/137276, 2010, A1 Location in patent: Page/Page column 30-31

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