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Chemical Structure| 474708-98-0 Chemical Structure| 474708-98-0

Structure of 474708-98-0

Chemical Structure| 474708-98-0

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Product Details of [ 474708-98-0 ]

CAS No. :474708-98-0
Formula : C8H4BrN3
M.W : 222.04
SMILES Code : N#CC1=CN=C2C=CC(Br)=CN21
MDL No. :MFCD11858502
InChI Key :PJSBOEVNEUCHIG-UHFFFAOYSA-N
Pubchem ID :22031078

Safety of [ 474708-98-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 474708-98-0 ]

* 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 [ 474708-98-0 ]

[ 474708-98-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 474708-98-0 ]
  • [ 1083326-75-3 ]
  • [ 1609565-55-0 ]
YieldReaction ConditionsOperation in experiment
46% With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; sodium carbonate; In 1,4-dioxane; water; for 1.08333h;Reflux; A suspension of 6-bromoimidazo[1,2-a]pyridine-3-carbonitrile (50 mg, 0.22 mmol) in 1,4-dioxane/water (5 mL/1 mL) was degassed and charged with N2 three times, then Pd(dppf)Cl2 (37 mg, 0.045 mmol), <strong>[1083326-75-3]N-(2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methanesulfonamide</strong> (111 mg, 0.338 mmol) and Na2CO3 (48 mg, 0.450 mmol) were added to the mixture successively. The mixture was heated to reflux and stirred further for 65 minutes, then cooled to rt, and concentrated in vacuo. The residue was dissolved in DCM (20 mL) and water (20 mL). The resulted mixture was separated, and the aqueous layer was extracted with DCM (10 mL*2). The combined organic phases were washed with water (25 mL) and brine (25 mL), dried over anhydrous Na2SO4, and concentrated in vacuo. The residue was purified by a silica gel column chromatography (DCM/MeOH (v/v)=100/1) to give the title compound as a light pink solid (35 mg, 46%). MS (ESI, pos. ion) m/z: 344.0 [M+H]+; 1H NMR (600 MHz, CDCl3): delta 8.49 (s, 1H), 8.25 (brs, 1H), 8.17 (d, J=2.28 Hz, 1H), 7.99 (d, J=2.28 Hz, 1H), 7.86 (d, J=8.91 Hz, 1H), 7.63 (dd, J=1.59, 9.24 Hz, 1H), 6.86 (s, 1H), 4.10 (s, 3H), 3.07 (s, 3H).
 

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