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Chemical Structure| 1228689-78-8 Chemical Structure| 1228689-78-8

Structure of 1228689-78-8

Chemical Structure| 1228689-78-8

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Product Details of [ 1228689-78-8 ]

CAS No. :1228689-78-8
Formula : C19H16BrClN2O3
M.W : 435.70
SMILES Code : O=C(OC(C1=CC=CC=C1Cl)C)NC2=C(C3=CC=C(Br)C=C3)ON=C2C

Safety of [ 1228689-78-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 1228689-78-8 ]

* 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 [ 1228689-78-8 ]

[ 1228689-78-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 13524-04-4 ]
  • [ 91182-60-4 ]
  • [ 1228689-78-8 ]
YieldReaction ConditionsOperation in experiment
With diphenyl phosphoryl azide; triethylamine; In toluene; at 80℃; for 2.5h; Step 5: [5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-carbamic acid l-(2-chloro- phenyl)-ethyl ester[00442] To a suspension of <strong>[91182-60-4]5-(4-bromo-phenyl)-3-methyl-isoxazole-4-carboxylic acid</strong> (7.Og, 24.8mmol) and triethylamine (3.46g, 24.8mmol) in toluene (25OmL) was added diphenylphosphoryl azide (5.3ImL, 24.8mmol), followed by 2-chloro-alpha-methylbenzyl alcohol (3.88g, 24.8mmol), and the reaction was stirred at 8O0C for 2.5 hours. The mixture was partitioned between EtOAc and H2O, and the aqueous layer was extracted with EtOAc. The combined organic layers were dried over MgSO4, filtered, and concentrated, and the residue was dissolved in EtOAc and filtered through Celite to remove a precipitate that was present. The crude material was purified by silica gel chromatography to give the title compound.
Step 1: To <strong>[91182-60-4]5-(4-bromo-phenyl)-3-methyl-isoxazole-4-carboxylic acid</strong> (5.764 g, 20.4 mmol) in toluene (200 mL) was added triethylamine (3.13 mL, 22.4 mmol) and diphenylphosphoryl azide (4.42 mL, 20.4 mmol), and the mixture was stirred for 5 minutes at room temperature. 2-Chloro-alpha-methylbenzyl alcohol (3.2 g, 22.4 mol) was added, and the reaction was stirred at 80 C. for 2 hours. The mixture was diluted with EtOAc (200 mL) and extracted with EtOAc. The combined organic layers were washed twice with water and once with brine, and the combined aqueous layers were back-extracted with EtOAc. The combined organic layers were concentrated, and the residue was purified by silica gel chromatography to give [5-(4-bromo-phenyl)-3-methyl-isoxazol-4-yl]-carbamic acid 1-(2-chloro-phenyl)-ethyl ester.
 

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