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Chemical Structure| 50371-52-3 Chemical Structure| 50371-52-3

Structure of 50371-52-3

Chemical Structure| 50371-52-3

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Product Details of [ 50371-52-3 ]

CAS No. :50371-52-3
Formula : C6H2Br2Cl3NO
M.W : 370.25
SMILES Code : O=C(C1=CC(Br)=C(Br)N1)C(Cl)(Cl)Cl
MDL No. :MFCD00662082

Safety of [ 50371-52-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H315-H319-H332-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 50371-52-3 ]

* 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 [ 50371-52-3 ]

[ 50371-52-3 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 5754-35-8 ]
  • [ 50371-52-3 ]
  • [ 154468-43-6 ]
YieldReaction ConditionsOperation in experiment
In acetonitrile; 4,5-Dibromo-N-[2-(1,3-dioxolan-2-yl)ethyl]pyrrole-2-carboxamide (11). A solution of <strong>[5754-35-8]2-(2-aminoethyl)-1,3-dioxolane</strong> (2.4 g, 20.6 mmol) and 4,5-dibromopyrrol-2-yl trichloromethyl ketone (7.6 g, 20.5 mmol) in 30 mL of acetonitrile was stirred at room temperature for 16 h. The reaction mixture was filtered and the precipitate 11 (6.8 g, 90%) was collected as a colorless solid: mp 155-157 C.; 1H NMR (CDCl3) d 1.99 (dt, 2H, J=6.0, 4.2), 3.61 (dt, 2H, J=6.0, 5.6), 3.92 (m, 2H), 4.05 (m, 2H), 5.00 (t, 1H, J=4.2), 6.51 (d, 1H, J=2.8), 6.66 (bs, 1H), 10.57 (bs, 1H); 13C NMR (CD3COCD3) d 34.3 (e), 35.5 (e), 65.4*2 (e), 99.4 (e), 103.4 (o), 105.4 (e), 113.0 (o), 129.1 (e), 160.0 (e); IR (nujol) 3358, 1646, 1569, 1412, 1372 cm-1; UV (CH3OH) 1max 275, 233, 214 (sh) nm; MS m/z (relative intensity) 371 (M++5, 50), 369 (M++3, 100), 367 (M++1, 50), 289 (13), 118 (25), 101 (50), 73 (30); Anal. Calcd for C8H10N2O2Br2: C, 32.63; H, 3.29; N, 7.61; Found: C, 32.77; H, 3.17; N, 7.51.
  • 2
  • [ 35302-72-8 ]
  • [ 72652-32-5 ]
  • [ 50371-52-3 ]
  • 3
  • [ 50371-52-3 ]
  • [ 106092-11-9 ]
  • (R)-N-(2-amino-4,5,6,7-tetrahydrobenzo[1,2-d]thiazol-6-yl)-4,5-dibromo-1H-pyrrole-2-carboxamide [ No CAS ]
  • 4
  • [ 50371-52-3 ]
  • [ 22259-53-6 ]
  • N-((1H-indol-3-yl)methyl)-4,5-dibromo-1H-pyrrole-2-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
77% With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 18h;Inert atmosphere; General procedure: This method was adapted from methods described by Richardset al.One equivalent of the appropriate 2,2,2-trichloroacetylpyrrolewas combined with 2 equivalents of the appropriate primary aminealong with 3 equivalents of anhydrous potassium carbonate and dissolvedin 4 mLs of anhydrous dimethylformamide (DMF) under argonand stirred for 18 h. The reaction was poured into 75 mLs EtOAc and25 mLs of deionized water, the aqueous layer was discarded and theorganic was further washed thrice with water, twice with 25 mLs 1 NHCl, and once with 25 mLs brine. The organic layer was then dried withanhydrous magnesium sulfate and evaporated under reduced pressure.The crude solid was purified by flash chromatography (5-20% EtOAc/Hexanes) to yield the final products.
  • 5
  • [ 21109-25-1 ]
  • [ 50371-52-3 ]
  • N-((1H-indol-2-yl)methyl)-4,5-dibromo-1H-pyrrole-2-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
74% With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 18h;Inert atmosphere; General procedure: This method was adapted from methods described by Richardset al.One equivalent of the appropriate 2,2,2-trichloroacetylpyrrolewas combined with 2 equivalents of the appropriate primary aminealong with 3 equivalents of anhydrous potassium carbonate and dissolvedin 4 mLs of anhydrous dimethylformamide (DMF) under argonand stirred for 18 h. The reaction was poured into 75 mLs EtOAc and25 mLs of deionized water, the aqueous layer was discarded and theorganic was further washed thrice with water, twice with 25 mLs 1 NHCl, and once with 25 mLs brine. The organic layer was then dried withanhydrous magnesium sulfate and evaporated under reduced pressure.The crude solid was purified by flash chromatography (5-20% EtOAc/Hexanes) to yield the final products.
 

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