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Chemical Structure| 845504-81-6 Chemical Structure| 845504-81-6

Structure of 845504-81-6

Chemical Structure| 845504-81-6

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Product Details of [ 845504-81-6 ]

CAS No. :845504-81-6
Formula : C6H5BrN2O
M.W : 201.02
SMILES Code : BrCC(C1=NC=NC=C1)=O
MDL No. :MFCD11506292

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Application In Synthesis of [ 845504-81-6 ]

* 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 [ 845504-81-6 ]

[ 845504-81-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 845504-81-6 ]
  • [ 6396-76-5 ]
  • N-(2,6-dimethylphenyl)-4-(pyrimidin-4-yl)thiazol-2-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
39% With triethylamine; In N,N-dimethyl-formamide; at 70℃; for 2h; (v) To a solution of <strong>[6396-76-5]1-<strong>[6396-76-5](2,6-dimethylphenyl)thiourea</strong></strong> (179 mg, 0.99 mmol) in DMF (10 mL),2-bromo-1-(pyrimidin-4-yl)ethan-1-one (200 mg, 0.99 mmol) and triethylamine (0.4 mL, 3mmol) were added successively and heated the mixture at 70C for 2 hours. After TLC showedcompletion, reaction mixture was diluted with EtOAc (30 mL) and washed with water (3 x 10mL). The organic layer was dried over Na2SO4 and concentrated. The resulting residue waspurified by column chromatography (silicagel, 100-200) and the desired product was elutedwith 25% EtOAc in hexane. Concentration of the pure fractions afforded 53 (110 mg, 39%yield), as a pale yellow solid; 1H NMR: (300 MHz, CDCl3): δ 2.34 (s, 6H), 7.17-7.23 (m, 3H),7.48 (s, 1H), 7.63-7.64 (m, 1H), 8.18 (br s, 1H), 8.54-8.56 (m, 1H), 9.00 (br s, 1H); 13C NMR:(300 MHz, CDCl3): δ 18.1, 110.2, 116.8, 128.3, 129.0, 137.0, 157.5, 158.7; LCMS m/z (M+H)283.08, purity 99.8%; HRMS MS ESI m/z calcd for C15H14N4S (M+H)+ 283.1012, found283.1001 (Δ 1.1 ppm).
 

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