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Chemical Structure| 1086381-36-3 Chemical Structure| 1086381-36-3

Structure of 1086381-36-3

Chemical Structure| 1086381-36-3

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Product Details of [ 1086381-36-3 ]

CAS No. :1086381-36-3
Formula : C9H12BrNO
M.W : 230.10
SMILES Code : CC(OC1=NC=CC(Br)=C1)(C)C
MDL No. :MFCD11223214
InChI Key :NCDASAXVWHEWJS-UHFFFAOYSA-N
Pubchem ID :45787872

Safety of [ 1086381-36-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P264-P270-P301+P312-P330-P501

Application In Synthesis of [ 1086381-36-3 ]

* 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 [ 1086381-36-3 ]

[ 1086381-36-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 489446-42-6 ]
  • [ 1086381-36-3 ]
  • 4-(4-(aminomethyl)phenyl)pyridin-2(1H)-one hydrochloride [ No CAS ]
  • 2
  • [ 489446-42-6 ]
  • [ 1086381-36-3 ]
  • [ 1416975-51-3 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate;(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In ethanol; water; toluene; at 75℃; for 0.5h;Microwave irradiation; Step 1-The preparation of 4-(4-(aminomethyl)phenyl)pyridin-2(1H)-one To a solution of <strong>[489446-42-6]4-((tert-butoxycarbonylamino)methyl)phenylboronic acid</strong> (1 g, 3.98 mmol), potassium carbonate (1.1 g, 7.96 mmol), 4-Bromo-2-(t-butoxy)pyridine (1.1 g, 4.78 mmol) in degassed toluene/EtOH/water (2:1:1) (6 mL) was added [1,1'-Bis (diphenylphosphino)ferrocene]dichloropalladium (II) (0.14 g, 0.199 mmol). The reaction mixture was then heated in the microwave at 75 C. for 30 min. After cooling the mixture, it was purified by silica gel chromatography (eluent: CH2Cl2/ethyl acetate 95:5) to yield tert-butyl 4-(2-tert-butoxypyridin-4-yl)benzylcarbamate (1). MS found for C21H28N2O3 as (M+H)+356.8. To the above Boc protected compound (462 mg, 1.3 mmol) in CH2Cl2 (3 mL), 4.0 M HCl dioxane (1.6 mL, 6.5 mmol) was added and stirred at rt for 1 h. The reaction mixture was then diluted with ether and the resulting solids were filtered and washed with ether and dried to give 4-(4-(aminomethyl)phenyl)pyridin-2(1H)-one (2) as hydrochloride salt. C12H12N2O 201.0 (M+1).
 

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