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Chemical Structure| 132426-19-8 Chemical Structure| 132426-19-8

Structure of 132426-19-8

Chemical Structure| 132426-19-8

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Product Details of [ 132426-19-8 ]

CAS No. :132426-19-8
Formula : C6H5BrN2O
M.W : 201.02
SMILES Code : BrCC(C1=NC=CN=C1)=O
MDL No. :MFCD05662516
InChI Key :UJIRAGIEBOAGOA-UHFFFAOYSA-N
Pubchem ID :15823112

Safety of [ 132426-19-8 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314
Precautionary Statements:P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501
Class:8
UN#:3261
Packing Group:

Application In Synthesis of [ 132426-19-8 ]

* 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 [ 132426-19-8 ]

[ 132426-19-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 6396-76-5 ]
  • [ 132426-19-8 ]
  • N-(2,6-dimethylphenyl)-4-(pyrazin-2-yl)thiazol-2-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
32% With triethylamine; In N,N-dimethyl-formamide; at 70℃; for 2h; To a solution of 1-(pyrazin-2-yl)ethan-1-one (250 mg, 2.03 mmol) in AcOH (5 mL), pyridinium bromide perbromide(780 mg, 2.4 mmol) was added and allowed the mixture to stir at room temperature for 48hours. After TLC showed completion, diluted the mixture with EtOAc (20 mL) and washedwith water (3 x 10 mL). The organic layer was dried over Na2SO4 and concentrated to obtaincrude 2-bromo-1-(pyrazin-2-yl)ethan-1-one, which was used in next step without further purification(300 mg, crude). To a solution of <strong>[6396-76-5]1-<strong>[6396-76-5](2,6-dimethylphenyl)thiourea</strong></strong> (134 mg, 0.7 mmol)in DMF (5 mL), crude 2-bromo-1-(pyrazin-2-yl)ethan-1-one (300 mg, 0.7 mmol) and triethylamine(0.31 mL, 2.2 mmol) were added successively and heated the mixture at 70C for 2hours. After TLC showed completion, reaction mixture was diluted with EtOAc (20 mL) andwashed with water (3 x 10 mL). The organic layer was dried over Na2SO4 and concentrated.The resulting residue was purified by column chromatography (silicagel, 100-200) and thedesired product was eluted with 20% EtOAc in hexane. Concentration of the pure fractionsafforded 52 (135 mg, 32% yield), as a pale yellow solid; 1H NMR: (400 MHz, DMSO-d6): δ 2.23(s, 6H), 7.14-7.20 (m, 3H), 7.45 (s, 1H), 8.54 (d, J = 2.4 Hz, 1H), 8.61 (t, J = 1.6 Hz, 1H), 8.99 (d, J = 1.6 Hz, 1H), 9.43 (1H, s); 13C NMR: (300 MHz, CDCl3) δ 18.1, 107.7, 128.1, 128.9, 137.0,137.4, 142.5, 142.7, 143.8, 148.3, 148.8, 171.0; LCMS m/z (M+H) 283.08, purity 99.8%; HRMSMS ESI m/z calcd for C15H14N4S (M+H)+ 283.1012, found 283.1001 (Δ 1.1 ppm).
 

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