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[ CAS No. 56447-54-2 ]

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Chemical Structure| 56447-54-2
Chemical Structure| 56447-54-2
Structure of 56447-54-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 56447-54-2 ]

CAS No. :56447-54-2 MDL No. :MFCD06658273
Formula : C7H3Cl2FO4S Boiling Point : 427°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :273.07 g/mol Pubchem ID :-
Synonyms :

Safety of [ 56447-54-2 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3261
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 56447-54-2 ]

  • Downstream synthetic route of [ 56447-54-2 ]

[ 56447-54-2 ] Synthesis Path-Downstream   1~14

  • 1
  • [ 56447-54-2 ]
  • C7H2ClFO4S(2-)*2Na(1+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
93% With sodium sulfite In water at 20℃; for 6h;
  • 2
  • [ 446-30-0 ]
  • [ 56447-54-2 ]
  • 3
  • [ 56447-54-2 ]
  • [ 100-39-0 ]
  • [ 328392-76-3 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; sodium hydroxide; sodium sulfite In water; toluene 1 1. 1. Preparation of 4-chloro-2-fluoro-5-phenylmethanesulfonylbenzoic Acid 41 g (150 mmol) of 3-chlorosulfonyl-4-chloro-6-fluorobenzoic acid are added a little at a time to a solution of 18.8 g (150 mmol) of sodium sulfite in 230 ml of water. By addition of sodium hydroxide solution (33% in water), the pH is maintained at 7. The solution is stirred at 20-25° C. for another hour. The pH is adjusted to 2.0 using 2 N hydrochloric acid. 32 g (188 mmol) of benzyl bromide are added, and the mixture is stirred at 50° C. for 15 h. The suspension is cooled to 5° C. and the product is isolated by filtration and washed with a little water. The crude product is suspended in 200 ml of hot toluene. The suspension is cooled to 20° C. and the product is isolated by filtration and dried at 40° C. in a vacuum drying cabinet. This gives 28 g of 4-chloro-2-fluoro-5-phenylmethanesulfonylbenzoic acid which are reacted further without further purification.
  • 4
  • [ 56447-54-2 ]
  • [ 56447-38-2 ]
YieldReaction ConditionsOperation in experiment
With chloroacetic acid; sodium sulfite In water 5 5. 5. Preparation of 4-chloro-2-fluoro-5-methanesulfonylbenzoic Acid 5 g (18.3 mmol) of 3-chlorosulfonyl-4-chloro-6-fluorobenzoic acid are added to a solution of 2.77 g (22 mmol) of sodium sulfite in 55 ml of water. Over a period of 15 minutes, 5 g of a 33% strength aqueous sodium hydroxide solution are metered in. Following the addition of 4.3 g (45 mmol) of chloroacetic acid, the mixture is heated under reflux for 24 hours. The suspension is cooled and stirred at 0-5° C. for 1 hour. The product is filtered off with suction, washed with a little water and dried at 40° C. in a vacuum drying cabinet. This gives 3.9 g of 4-chloro-2-fluoro-5-methanesulfonylbenzoic acid which are reacted further without further purification.
  • 5
  • [ 56447-54-2 ]
  • [ 54-31-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: triethylamine; ammonia / tetrahydrofuran / 16 h / 0 - 20 °C 2: N-ethyl-N,N-diisopropylamine / 1,2-dimethoxyethane / 16 h / 130 °C
  • 6
  • [ 56447-54-2 ]
  • [ 4793-22-0 ]
YieldReaction ConditionsOperation in experiment
With ammonia; triethylamine In tetrahydrofuran at 0 - 20℃; for 16h; 1 General procedure A for preparation of Compounds 2a - 2g General procedure: 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid (1 eq.) was dissolved in anhydrous THF (0.3 M) and cooled to 0°C. Triethylamine (3 eq.) was added to the reaction mixture. The appropriate amine (1.2 eq.) was dissolved by THF and added to reaction slowly. The reaction was allowed to warm to room temperature and monitored by TLC. Upon completion of the reaction, the mixture was diluted with EtOAcTUO and layers separated. The pH of the aqueous phase was adjusted to 3 and extracted with EtOAc. The organic layers were washed with brine, dried over Na2SC>4 and concentrated under reduced pressure. Column chromatography gave the desired compounds 2a-2q (20-88%).
  • 7
  • [ 56447-54-2 ]
  • [ 74-89-5 ]
  • C8H7ClFNO4S [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine In tetrahydrofuran at 0 - 20℃; General procedure A for preparation of Compounds 2a - 2q. General procedure: 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid (1 eq.) was dissolved in anhydrous THF (0.3 M) andcooled to 0 oC. Triethylamine (3 eq.) was added to the reaction mixture. The appropriate amine (1.2 eq.)was dissolved by THF and added to reaction slowly. The reaction was allowed to warm to roomtemperature and monitored by TLC. Upon completion of the reaction, the mixture was diluted withEtOAc/H2O and layers separated. The pH of the aqueous phase was adjusted to 3 and extracted withEtOAc. The organic layers were washed with brine, dried over Na2SO4 and concentrated under reducedpressure. Column chromatography gave the desired compounds 2a-2q (20-88%).
  • 8
  • [ 56447-54-2 ]
  • [ 765-30-0 ]
  • C10H9ClFNO4S [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine In tetrahydrofuran at 0 - 20℃; General procedure A for preparation of Compounds 2a - 2q. General procedure: 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid (1 eq.) was dissolved in anhydrous THF (0.3 M) andcooled to 0 oC. Triethylamine (3 eq.) was added to the reaction mixture. The appropriate amine (1.2 eq.)was dissolved by THF and added to reaction slowly. The reaction was allowed to warm to roomtemperature and monitored by TLC. Upon completion of the reaction, the mixture was diluted withEtOAc/H2O and layers separated. The pH of the aqueous phase was adjusted to 3 and extracted withEtOAc. The organic layers were washed with brine, dried over Na2SO4 and concentrated under reducedpressure. Column chromatography gave the desired compounds 2a-2q (20-88%).
  • 9
  • [ 56447-54-2 ]
  • [ 100-46-9 ]
  • C14H11ClFNO4S [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine In tetrahydrofuran at 0 - 20℃; General procedure A for preparation of Compounds 2a - 2q. General procedure: 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid (1 eq.) was dissolved in anhydrous THF (0.3 M) andcooled to 0 oC. Triethylamine (3 eq.) was added to the reaction mixture. The appropriate amine (1.2 eq.)was dissolved by THF and added to reaction slowly. The reaction was allowed to warm to roomtemperature and monitored by TLC. Upon completion of the reaction, the mixture was diluted withEtOAc/H2O and layers separated. The pH of the aqueous phase was adjusted to 3 and extracted withEtOAc. The organic layers were washed with brine, dried over Na2SO4 and concentrated under reducedpressure. Column chromatography gave the desired compounds 2a-2q (20-88%).
  • 10
  • [ 110-91-8 ]
  • [ 56447-54-2 ]
  • C11H11ClFNO5S [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine In tetrahydrofuran at 0 - 20℃; General procedure A for preparation of Compounds 2a - 2q. General procedure: 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid (1 eq.) was dissolved in anhydrous THF (0.3 M) andcooled to 0 oC. Triethylamine (3 eq.) was added to the reaction mixture. The appropriate amine (1.2 eq.)was dissolved by THF and added to reaction slowly. The reaction was allowed to warm to roomtemperature and monitored by TLC. Upon completion of the reaction, the mixture was diluted withEtOAc/H2O and layers separated. The pH of the aqueous phase was adjusted to 3 and extracted withEtOAc. The organic layers were washed with brine, dried over Na2SO4 and concentrated under reducedpressure. Column chromatography gave the desired compounds 2a-2q (20-88%).
  • 11
  • [ 56447-54-2 ]
  • [ 103-67-3 ]
  • C15H13ClFNO4S [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine In tetrahydrofuran at 0 - 20℃; General procedure A for preparation of Compounds 2a - 2q. General procedure: 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid (1 eq.) was dissolved in anhydrous THF (0.3 M) andcooled to 0 oC. Triethylamine (3 eq.) was added to the reaction mixture. The appropriate amine (1.2 eq.)was dissolved by THF and added to reaction slowly. The reaction was allowed to warm to roomtemperature and monitored by TLC. Upon completion of the reaction, the mixture was diluted withEtOAc/H2O and layers separated. The pH of the aqueous phase was adjusted to 3 and extracted withEtOAc. The organic layers were washed with brine, dried over Na2SO4 and concentrated under reducedpressure. Column chromatography gave the desired compounds 2a-2q (20-88%).
With triethylamine In tetrahydrofuran at 0 - 20℃; for 16h;
  • 12
  • [ 56447-54-2 ]
  • [ 618-36-0 ]
  • C15H13ClFNO4S [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine In tetrahydrofuran at 0 - 20℃; General procedure A for preparation of Compounds 2a - 2q. General procedure: 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid (1 eq.) was dissolved in anhydrous THF (0.3 M) andcooled to 0 oC. Triethylamine (3 eq.) was added to the reaction mixture. The appropriate amine (1.2 eq.)was dissolved by THF and added to reaction slowly. The reaction was allowed to warm to roomtemperature and monitored by TLC. Upon completion of the reaction, the mixture was diluted withEtOAc/H2O and layers separated. The pH of the aqueous phase was adjusted to 3 and extracted withEtOAc. The organic layers were washed with brine, dried over Na2SO4 and concentrated under reducedpressure. Column chromatography gave the desired compounds 2a-2q (20-88%).
  • 13
  • [ 56447-54-2 ]
  • [ 64-04-0 ]
  • C15H13ClFNO4S [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine In tetrahydrofuran at 0 - 20℃; General procedure A for preparation of Compounds 2a - 2q. General procedure: 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid (1 eq.) was dissolved in anhydrous THF (0.3 M) andcooled to 0 oC. Triethylamine (3 eq.) was added to the reaction mixture. The appropriate amine (1.2 eq.)was dissolved by THF and added to reaction slowly. The reaction was allowed to warm to roomtemperature and monitored by TLC. Upon completion of the reaction, the mixture was diluted withEtOAc/H2O and layers separated. The pH of the aqueous phase was adjusted to 3 and extracted withEtOAc. The organic layers were washed with brine, dried over Na2SO4 and concentrated under reducedpressure. Column chromatography gave the desired compounds 2a-2q (20-88%).
  • 14
  • [ 56447-54-2 ]
  • [ 75-04-7 ]
  • C9H9ClFNO4S [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine In tetrahydrofuran at 0 - 20℃; General procedure A for preparation of Compounds 2a - 2q. General procedure: 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid (1 eq.) was dissolved in anhydrous THF (0.3 M) andcooled to 0 oC. Triethylamine (3 eq.) was added to the reaction mixture. The appropriate amine (1.2 eq.)was dissolved by THF and added to reaction slowly. The reaction was allowed to warm to roomtemperature and monitored by TLC. Upon completion of the reaction, the mixture was diluted withEtOAc/H2O and layers separated. The pH of the aqueous phase was adjusted to 3 and extracted withEtOAc. The organic layers were washed with brine, dried over Na2SO4 and concentrated under reducedpressure. Column chromatography gave the desired compounds 2a-2q (20-88%).
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