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Chemical Structure| 881674-39-1 Chemical Structure| 881674-39-1

Structure of 881674-39-1

Chemical Structure| 881674-39-1

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Product Details of [ 881674-39-1 ]

CAS No. :881674-39-1
Formula : C8H10BrNO2
M.W : 232.07
SMILES Code : O=C(C1=C(C)NC(Br)=C1)OCC
MDL No. :MFCD11875858

Safety of [ 881674-39-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 881674-39-1 ]

* 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 [ 881674-39-1 ]

[ 881674-39-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 881674-39-1 ]
  • [ 42899-76-3 ]
  • [ 144-55-8 ]
  • [ 881675-04-3 ]
YieldReaction ConditionsOperation in experiment
In tetrahydrofuran; Reference Example 148 Ethyl 5-bromo-2-methyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carboxylate Ethyl 5-bromo-2-methyl-1H-pyrrole-3-carboxylate (2.26 g) was dissolved in tetrahydrofuran (100 mL), sodium hydride (60percent in oil, 1.16 g) was added and the mixture was stirred at room temperature for 15 min. 15-Crown-5 (5.90 mL) was added and the mixture was further stirred at the same temperature for 15 min, and <strong>[42899-76-3]3-pyridinesulfonyl chloride hydrochloride</strong> (3.13 g) was added. The reaction mixture was stirred at room temperature for 1 hr, saturated aqueous sodium hydrogencarbonate solution was added, and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: hexane-ethyl acetate=19:1-->7:3) to give the title compound as a yellow oil (yield 2.31 g, 64percent). 1H-NMR (CDCl3)delta: 1.24-1.34 (3H, m), 2.94 (3H, s), 4.23-4.30 (2H, m), 6.69 (1H, s), 7.51-7.55 (1H,-m), 8.17-8.21 (1H, m), 8.88-8.91 (1H, m), 9.14 (1H, m).
  • 2
  • [ 881674-39-1 ]
  • [ 42899-76-3 ]
  • [ 881675-04-3 ]
YieldReaction ConditionsOperation in experiment
64% Reference Example 148 Ethyl 5-bromo-2-methyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carboxylate Ethyl 5-bromo-2-methyl-1H-pyrrole-3-carboxylate (2.26 g) was dissolved in tetrahydrofuran (100 mL), sodium hydride (60percent in oil, 1.16 g) was added and the mixture was stirred at room temperature for 15 min. 15-Crown-5 (5.90 mL) was added and the mixture was further stirred at the same temperature for 15 min, and <strong>[42899-76-3]3-pyridinesulfonyl chloride hydrochloride</strong> (3.13 g) was added. The reaction mixture was stirred at room temperature for 1 hr, saturated aqueous sodium hydrogencarbonate solution was added, and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: hexane-ethyl acetate=19:1?7:3) to give the title compound as a yellow oil (yield 2.31 g, 64percent). 1H-NMR (CDCl3)delta: 1.24-1.34 (3H, m), 2.94 (3H, s), 4.23-4.30 (2H, m), 6.69 (1H, s), 7.51-7.55 (1H, m), 8.17-8.21 (1H, m), 8.88-8.91 (1H, m), 9.14 (1H, m).
 

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