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Chemical Structure| 1393585-20-0 Chemical Structure| 1393585-20-0

Structure of 1393585-20-0

Chemical Structure| 1393585-20-0

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Product Details of [ 1393585-20-0 ]

CAS No. :1393585-20-0
Formula : C10H9BrO3
M.W : 257.08
SMILES Code : OC(=O)C1(COC1)C1=CC=C(Br)C=C1
MDL No. :MFCD22544050
InChI Key :XHLYQWDVGGDALC-UHFFFAOYSA-N
Pubchem ID :70819165

Safety of [ 1393585-20-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H332
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Application In Synthesis of [ 1393585-20-0 ]

* 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 [ 1393585-20-0 ]

[ 1393585-20-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1393585-20-0 ]
  • [ 107867-51-6 ]
  • N-(2-amino-5-(trifluoromethyl)pyridin-3-yl)-3-(4-bromophenyl)oxetane-3-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
To a solution of 3-(4-bromophenyl)oxetane-3-carboxylic acid (550.0 mg, 2.139 mmol) in DCM (15.0 mL) was added HATU (976 mg, 2.57 mmol). The reaction was stirred for 10 min. Then to the reaction mixture were added <strong>[107867-51-6]5-(trifluoromethyl)pyridine-2,3-diamine</strong> (379 mg, 2.14 mmol), DIEA (1.12 mL, 6.42 mmol) and reaction was stirred at RT for 12 h. The reaction was diluted with EtOAc and washed with 3 portions of 1 N HC1, 2 portions of water, 1 portion of brine, 1 portion of NaHCCb (sat.). The organic layer was dried over Na2SO4, filtered, and concentrated in vacuo to afford a residue, which was purified by column chromatography on silica gel (EtOAc in DCM : 0-1005percent gradient) to afford the title compound. MS (EI) m/z 416 [M+H]+.
 

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