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Chemical Structure| 98626-95-0 Chemical Structure| 98626-95-0

Structure of 98626-95-0

Chemical Structure| 98626-95-0

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Product Details of [ 98626-95-0 ]

CAS No. :98626-95-0
Formula : C6H6BrNO2S
M.W : 236.09
SMILES Code : O=S(C1=NC=C(Br)C=C1)(C)=O
MDL No. :MFCD04974510
InChI Key :QUSHOBXANACYJY-UHFFFAOYSA-N
Pubchem ID :13433424

Safety of [ 98626-95-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H319-H302
Precautionary Statements:P305+P351+P338

Application In Synthesis of [ 98626-95-0 ]

* 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 [ 98626-95-0 ]

[ 98626-95-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 98626-95-0 ]
  • [ 35344-95-7 ]
  • 1-(6-(methylsulfonyl)pyridin-3-yl)-1H-pyrazole-4-carbaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
56% With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; at 90℃; for 5h;Inert atmosphere; To a stirred solution of 5-bromo-2-(methylsulfonyl)pyridine (0.05 g, 0.21 mmol) and 1H- <strong>[35344-95-7]pyrazole-4-carbaldehyde</strong> (0.02 g, 0.21 mmol) in 1,4-dioxane (3 mL) was added cesium carbonate (0.17 g, 0.53 mmol) and 9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphane (0.01g, 0.021 mmol). The reaction mixture was degassed with nitrogen for 10 minutes and Pd2dba3 (0.02 g, 0.021 mmol) was added and the resulting mixture was degassed again for 10 minutes then was heated at 90 °C for 5 h. The reaction mixture was cooled to ambient temperature and diluted with ice cold 1.5 N HCl (2 mL). The solid precipite was collected by suction filtration and washed with ethanol (1 mL) to obtain Intermediate 38 (0.03 g, 56.00percent).1H NMR (400 MHz, DMSO- d6) delta ppm 2.53 (s, 3 H), 7.96 (d, J = 0.56 Hz, 1 H), 8.32 (d, J = 2.45 Hz, 1 H), 8.33 (s, 1 H), 8.71 (d, J = 2.45 Hz, 1 H), 9.29 (s, 1 H), 9.97 (s, 1 H). LCMS (Method-L) retention time 1.12 min, [M+H] 252.0.
 

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