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Chemical Structure| 884855-68-9 Chemical Structure| 884855-68-9
Chemical Structure| 884855-68-9

4-Bromo-1-methylindolin-2-one

CAS No.: 884855-68-9

4.5 *For Research Use Only !

Cat. No.: A245897 Purity: 98%

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Product Details of [ 884855-68-9 ]

CAS No. :884855-68-9
Formula : C9H8BrNO
M.W : 226.07
SMILES Code : O=C1N(C)C2=C(C(Br)=CC=C2)C1
MDL No. :MFCD10699229
InChI Key :YYTXVBYHPIORNO-UHFFFAOYSA-N
Pubchem ID :16737939

Safety of [ 884855-68-9 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301
Precautionary Statements:P280-P305+P351+P338
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 884855-68-9 ]

* 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 [ 884855-68-9 ]

[ 884855-68-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 99365-48-7 ]
  • [ 77-78-1 ]
  • [ 884855-68-9 ]
YieldReaction ConditionsOperation in experiment
66% A suspension of sodium hydride (331mg, 8.63mmol, 60% in oil) and xylenes (17.3mL) was heated to reflux, and <strong>[99365-48-7]4-bromo-1,3-dihydro-2-oxindole</strong> (14) (1.83g, 8.63mmol) was added in ?10 equal portions over 5min. The resulting light orange suspension was heated under reflux for 1h, whereupon dimethylsulfate (1.09g, 818muL, 8.63mmol) was added slowly dropwise at reflux. After heating at reflux for an additional 1h, the reaction was cooled and diluted with EtOAc (30mL). The organic layer was washed with water (3×15mL), brine (15mL), dried (MgSO4) and concentrated to provide a yellow solid that was purified by flash column chromatography eluting with a solvent gradient (CH2Cl2 to 10% Et2O in CH2Cl2) to give 1.29g (66%) of 13 as a fluffy light yellow solid: mp 138-139C; 1H NMR (500MHz) delta 7.15-7.10 (comp, 2H), 6.73-6.69 (m, 1H), 3.43 (s, 2H), 3.17 (s, 3H); 13C NMR (126MHz) delta 173.7, 146.0, 129.4, 125.4, 125.3, 119.0, 106.8, 37.0, 26.5; IR 3054, 2939, 1717, 1611, 1458, 1340, 1296, 1106, 925, 770, 708cm-1; HRMS (CI) m/z calcd for C9H9B79rNO+C9H9B79rNO+ (M+1), 225.9868; found, 225.9875.
  • 2
  • [ 884855-68-9 ]
  • [ 40138-17-8 ]
  • [ 1571136-38-3 ]
 

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