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Chemical Structure| 1056942-37-0 Chemical Structure| 1056942-37-0

Structure of 1056942-37-0

Chemical Structure| 1056942-37-0

1-Bromo-4-chloro-2-(difluoromethoxy)benzene

CAS No.: 1056942-37-0

4.5 *For Research Use Only !

Cat. No.: A274545 Purity: 95%

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Product Details of [ 1056942-37-0 ]

CAS No. :1056942-37-0
Formula : C7H4BrClF2O
M.W : 257.46
SMILES Code : FC(F)OC1=CC(Cl)=CC=C1Br
MDL No. :MFCD14698391
InChI Key :HJBFVAQNOQRMEJ-UHFFFAOYSA-N
Pubchem ID :22295381

Safety of [ 1056942-37-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 1056942-37-0 ]

* 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 [ 1056942-37-0 ]

[ 1056942-37-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 13659-23-9 ]
  • [ 1895-39-2 ]
  • [ 1056942-37-0 ]
YieldReaction ConditionsOperation in experiment
98% With caesium carbonate; In water; N,N-dimethyl-formamide; at 100℃; for 4h; To a solution of <strong>[13659-23-9]2-bromo-5-chlorophenol</strong> (1 g, 4.8 mmol) in DMF/water (45 mL/5 mL) was added sodium chlorodifluoroacetate (1.95 g, 12.0 mmol) and cesium carbonate (3.14 g, 9.64 mmol), and the reaction mixture was heated to 100 C. for 4 hours. The reaction mixture was cooled and diluted with TBME (20 mL) and water (20 mL). The organic layer was collected, washed with saturated aqueous NaHCO3 solution, brine, dried over Na2SO4 and concentrated in vacuo to afford the title compound (1.21 g, 98%), which was used without further purification.
With caesium carbonate; In water; N,N-dimethyl-formamide; at 100℃; for 3h; Sodium chlorodifluoroacetate (2.5 eq.) and cesium carbonate (1.5 eq.) were added to a solution of <strong>[13659-23-9]2-bromo-5-chlorophenol</strong> in DMF containing 10 volume % water, and the reaction mixture was heated for 3h at 100 C. After cooling to room temperature, the reaction mixture was diluted with ethyl acetate and washed with water (3×), then with brine (1×). The organic layer was dried over sodium sulfate and concentrated to obtain the crude product which was used in the next step without further purification.
With caesium carbonate; In water; N,N-dimethyl-formamide; at 100℃; for 16h; To a solution of <strong>[13659-23-9]2-bromo-5-chlorophenol</strong> (4.34 g, 20.92 mmol, Ark Pharm) in N,N-dimethylformamide (21.79 ml, 20.92 mmol) was added sodium chlorodifluoroacetate (7.34 g, 48.1 mmol), cesium carbonate (9.54 g, 29.3 mmol), and water (2.179 ml, 20.92 mmol). The reaction was heated at 100 C for 16 h. After 16 h, the reaction was partitioned between EtOAc (100 mL) and water (50 mL). The aqueous layer was extracted with EtOAc (2x70mL). The organic portions were combined and washed with water (2x50 mL), 10% aq citric acid (1x30 mL), and brine, dried over MgS04, filtered, and concentrated to provide 1- bromo-4-chloro-2-(difluoromethoxy)benzene (4.35 g, 16.90 mmol, 81 % yield) as a colorless oil. The material was used without further purification.
 

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