Home Cart 0 Sign in  

[ CAS No. 113444-43-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 113444-43-2
Chemical Structure| 113444-43-2
Structure of 113444-43-2 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 113444-43-2 ]

Related Doc. of [ 113444-43-2 ]

Alternatived Products of [ 113444-43-2 ]

Product Details of [ 113444-43-2 ]

CAS No. :113444-43-2 MDL No. :MFCD08669401
Formula : C8H11BrN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :MPOYJJZUWSCBJH-UHFFFAOYSA-N
M.W : 247.09 Pubchem ID :13897513
Synonyms :

Safety of [ 113444-43-2 ]

Signal Word:Warning Class:
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 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 113444-43-2 ]

* 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 [ 113444-43-2 ]

[ 113444-43-2 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 35445-32-0 ]
  • [ 113444-43-2 ]
YieldReaction ConditionsOperation in experiment
26% With N-Bromosuccinimide; In acetonitrile; at 20℃; ethyl [2-BROM-1,] [4-DIMETHYL-1] H-imidazole-5-carboxylate To a solution of intermediate 93 (1.69 [G,] 0.01 mol) in CH3CN (60 mL) was added [NBS (2.15 G, 1.2 EQ. ) AND THE REACTION WAS STIRRED AT RT FOR 1 NIGHT. AFTER EVAPORATION] of the solvant, the residue was dissolved in DCM and washed with water. The organic layer was dried over [NA2SO4] and evaporated off. After purification by flash chromatography using DCM/MeOH 90/10 as eluent, the title compound was obtained as yellow crystals (0.645 g, 2.6 [MMOL)] in 26percent yield ;'H NMR [(CDC13,] 300 MHz) [S] 4.55 (q, 2H), 4.09 (s, 3H), 2.69 (s, 3H), 1.61 (t, 3H)
  • 2
  • [ 95470-42-1 ]
  • [ 74-88-4 ]
  • [ 113444-43-2 ]
YieldReaction ConditionsOperation in experiment
65% A solution of 2-bromo-4-methyl-lH-imidazole-5- carboxylic acid ethyl ester (1.0 g, 4.29 mmol) in dimethylformamide (DMF, 30 ml) was cooled to O0C, added with 60percent sodium hydride (NaH, 343 mg, 8.58 mmol) and stirred for 30 min. Iodomethane (0.8 ml, 12.87 mmol) was slowly added in droplets to the resulting solution which was then heated from 00C to room temperature with stirring for 4 hrs and added with water, followed by extraction with ethyl acetate. The extract was dried over MgSO4, filtered and concentrated in a vacuum. The purification of the concentrate thus obtain through silica gel column chromatography(hexane : ethyl acetate=5:l) afforded the object compound as a white solid (693 mg, 2.81 mmol, 65percent) . 1H-NMROOO MHz, CDCl3) sigma 1.38 (t, 3H, J = 7.1 Hz) ,2.46(s, 3H) , 3.88(s, 3H) , 4.33(q, 2H, J = 7.1 Hz); <n="46"/>MS 246 (M+) .
  • 3
  • [ 95470-42-1 ]
  • [ 74-88-4 ]
  • [ 103968-59-8 ]
  • [ 113444-43-2 ]
YieldReaction ConditionsOperation in experiment
32%; 64% With potassium carbonate; In N,N-dimethyl-formamide; for 1.5h; B. To a stirred suspension of <strong>[95470-42-1]ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate</strong> (0.90 g, 3.86 mmol) and potassium carbonate (1.07 g, 7.74 mmol) in N,N-dimethylformamide (15 mL) under nitrogen atmosphere was added iodomethane (0.73 mL, 11.6 mmol). The reaction mixture was stirred for 1.5 h, and diluted with ethyl acetate (75 mL). The organic layer was washed with water (25 mL) and brine (25 mL), dried over sodium sulfate, filtered and concentrated in vacuo. The residue was purified by column chromatography eluting with 10-60percent ethyl acetate in hexanes to afford the title compounds. First fraction: ethyl 2-bromo-1,4-dimethyl-1H-imidazole-5-carboxylate (0.61 g, 64percent): 1H NMR (300 MHz, CDCl3) delta 4.33 (q, J=7.1 Hz, 2H), 3.86 (s, 3H), 2.46 (s, 3H), 1.38 (t, J=7.1 Hz, 3H); MS (ES+) m/z 247.1 (M+1). Second fraction: ethyl 2-bromo-1,5-dimethyl-1H-imidazole-4-carboxylate (0.30 g, 32percent); 1H NMR (300 MHz, CDCl3) delta 4.35 (q, J=7.1 Hz, 2H), 3.54 (s, 3H), 2.56 (s, 3H), 1.38 (t, J=7.1 Hz, 3H); MS (ES+) m/z 247.1 (M+1).
  • 4
  • [ 51605-32-4 ]
  • [ 113444-43-2 ]
Same Skeleton Products
Historical Records