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Chemical Structure| 19715-80-1 Chemical Structure| 19715-80-1

Structure of 19715-80-1

Chemical Structure| 19715-80-1

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Product Details of [ 19715-80-1 ]

CAS No. :19715-80-1
Formula : C10H12BrNO
M.W : 242.11
SMILES Code : O=C(N(C)C)CC1=CC=C(Br)C=C1
MDL No. :MFCD02860725
InChI Key :CNGVHZAORFMGBW-UHFFFAOYSA-N
Pubchem ID :4631595

Safety of [ 19715-80-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 19715-80-1 ]

* 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 [ 19715-80-1 ]

[ 19715-80-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 19715-80-1 ]
  • [ 163520-14-7 ]
  • [ 697746-46-6 ]
YieldReaction ConditionsOperation in experiment
29% With potassium carbonate;tetrakis(triphenylphosphine) palladium(0); In 1,2-dimethoxyethane; ethanol; water;Heating / reflux; To a nitrogen-flushed mixture of 5-iso-butyl-2-(N-tert-butylaminosulfonyl)- thiophene-3-boronic acid (0.5 g, 1.6 mmol; see step (c) above), 2- (4- bromophenyl)-N, N-dimethylacetamide (0.76 g, 3.13 mmol ; prepared by reacting (4-bromophenyl) acetic acid with thionyl chloride at 70C in a mixture of DMF and benzene, followed by removal of excess thionyl chloride by rotary evaporation and treatment of the resultant with dimethylamine in a THF solution at room temperature) and potassium carbonate (0.87 g, 6.3 mmol) in a solvent mixture of DME, ethanol and water (7 + 2 + 3 mL), was added Pd (PPH3) 4 (91 mg, 0.08 mmol). The mixture was flushed with nitrogen for 5 minutes, and then heated to reflux overnight under a N2 atmosphere. The mixture was cooled to room temperature, diluted with 1M NaOH solution (20 mL) followed by ethyl acetate (50 mL). The organic layer was washed with water and then brine, dried over anhydrous MGS04, CONCENTRATED IN VACUO, and the residue subjected to circular chromatography (70% EtOAc in petroleum ether) to afford the pure sub-title product as colourless solid (200 mg, 0.458 mmol, yield: 29%). 'H NMR (270 MHz, CDCl3) : No. 0.97 (m, 15H), 1.90 (m, 1H), 2.66 (d, 2H, J = 6.9 Hz), 2.97 (s, 3H), 3.02 (s, 3H), 3.74 (s, 2H), 4.27 (br. s, 1H), 6.74 (s, 1H), 7.31 (d, 2H, J= 8.3 Hz), 7.55 (d, 2H, J= 8.3 Hz) 13C NMR (67.5 MHz, CDCl3) : 6 22.1, 29.4, 30.4, 35.6, 37.7, 39.1, 40.5, 54. 4, 128.9, 129. 0, 129. 2, 133. 4, 135.5, 136.3, 142.8, 148. 2, 170.7 IR (NEAT, CM~L) : V2959, 1638, 1500, 1393, 1313, 1144 ESIMS: m/z at 437.1 (M+ +1) Anal. Calcd for C22H32N2O3S2: C, 60.52 ; H, 7.39 ; N, 6.42 ; Found: C, 60.4 ; H, 7.4 ; N, 6.3
 

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