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[ CAS No. 887308-14-7 ]

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Chemical Structure| 887308-14-7
Chemical Structure| 887308-14-7
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Product Details of [ 887308-14-7 ]

CAS No. :887308-14-7 MDL No. :MFCD09909848
Formula : C6H5BrClNO2S Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :270.53 g/mol Pubchem ID :58447934
Synonyms :

Safety of [ 887308-14-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 887308-14-7 ]

  • Downstream synthetic route of [ 887308-14-7 ]

[ 887308-14-7 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 887308-15-8 ]
  • [ 887308-14-7 ]
YieldReaction ConditionsOperation in experiment
73% With 3-chloro-benzenecarboperoxoic acid In chloroform at 20℃; for 20h; 7 Using an analogous method to that described by Ponticello et al, J. Org. Chem.,Vol. 44, No. 17, 1979, for the preparation of 2-chloro-3-methylsulfonylpyridine, a solution of 3-chloroperbenzoic acid (75% pure; 5 g, 22 mmol) in chloroform (50 mL) was added to a stirred solution of 5-bromo-2-chloro-3-methylthiopyridine (2.6 g, 10.9 mmol) in chloroform EPO (50 mL) and the mixture was stirred at room temperature for 20 hours. The resultant solution .was poured into a saturated aqueous sodium hydrogen carbonate solution. The organic phase was separated, washed twice with saturated aqueous sodium hydrogen carbonate solution and dried over sodium sulfate. The organic solvent was removed under reduced pressure and the 5 residue was crystallised from a methanolic solution (20 mL). The resultant solid was filtered off and dried to afford 5-bromo-2-chloro-3-methylsulfonylpyridine (2.15 g, 73% yield); 1H NMR Spectrum: (CDCl3) 8.70 (IH, d); 8.59 (IH, d); 3.34 (3H, s); Mass Spectrum: M+H* 270 and 272.
With 3-chloro-benzenecarboperoxoic acid In chloroform
  • 2
  • [ 321745-86-2 ]
  • [ 887308-14-7 ]
  • [ 1243246-19-6 ]
YieldReaction ConditionsOperation in experiment
In tetrahydrofuran; diethyl ether at 100℃; for 1h; Inert atmosphere; Sealed tube; 44.2 To a sealed tube were added 5-bromo-2-chloro-3-(methylsulfonyl)pyridine 197-3 (60mg, 0.22 mmol), 0.5 M (2-tert-butoxy-2-oxoethyl) zinc(II) chloride 86-5 in ether (0.54 niL, 0.27 mmol), Pd(dba)2 (6.4 mg, 0.001 mmol), Q-phos (16 mg, 0.02 mmol) and THF (1 mL). The reaction mixture was bubbled with nitrogen for 1 minute and stirred at 100 °C for 1 hour. After cooling to room temperature, all the solvents were evaporated and the residue was redissolved in ethyl acetate, washed with water and brine, dried over Na2SO4 and concentrated to dryness by rotary evaporation. The crude product was purified by silica gel flash chromatography and eluted with 20% ethyl acetate in hexane to give tert-butyl 2-(6-chloro-5- (methylsulfonyl)pyridin-3-yl)acetate 197-5. MS m/z 306.1 (M + 1).
  • 3
  • [ 2033-46-7 ]
  • [ 887308-14-7 ]
  • N-[5-(6-chloro-5-methylsulfonylpyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
17% Stage #1: 5-bromo-2-chloro-3-(methylsulfonyl)pyridine With potassium acetate; bis(pinacol)diborane In 1,4-dioxane at 80℃; for 18h; Stage #2: N-(5-iodo-4-methyl-thiazol-2-yl)acetamide With sodium carbonate In 1,4-dioxane; water at 80℃; for 8h; 7 N-r5-(6-Chloro-5-niethylsulfonylpyridin-3-yl)-4-methyl-1.3-thiazol-2-yl]acetamideA solution of 5-bromo-2-chloro-3-methylsulfonylpyridine (0.135 g, 0.5 mmol), [l,r-bis(diphenylphosphino)ferrocene]dichloropalladium(II) 1:1 complex with dichloromethane (24 mg, 0.03 mmol), bis(pinacolato)diboron (0.135 g, 0.53 mmol) and25 potassium acetate (0.147 g, 1.5 mmol) in 1,4-dioxane (4 mL) was heated at 80°C for 18 hours. The reaction mixture was cooled and JV-(5-iodo-4-methyl- 1 ,3-thiazol-2- yl)acetamide (100 mg, 0.35 mmol), 2M aqueous sodium carbonate (1.25 mL, 2.5 mmol), ethanol (0.6 mL) and [l,r-bis(diphenylphosphino)ferrocene]dichloropalladium(II) 1:1 complex with dichloromethane (12 mg, 0.015 mmol) were added. The resultant mixture was30 heated again at 80°C for 8 hours. The resultant mixture was filtered through a plug of celite and purified with preparative HPLC (Method A) to give the title compound (30 mg, 17%; retention time EPO 6.3 minutes); 1H NMR Spectrum: (CDCl3) 8.79 (IH, br s); 8.69 (IH, d); 7.50 (IH, d); 3.37 (3H, s); 2.44 (3H, s); 2.31 (3H, s); Mass Spectrum: M+H+ 346.
  • 4
  • [ 887308-14-7 ]
  • 5-bromo-2-methoxy-3-(methylsulfonyl)pyridine [ No CAS ]
YieldReaction ConditionsOperation in experiment
50.2% With sodium methoxide 246.1 (S)-N-(5-(4-fluorophenoxy)pyridin-2-yl)-2-((S)-3-(5-(methylsulfonyl)-6-oxo-1,6-dihydropyridin-3-yl)piperidin-1-yl)propanamide and (R)-N-(5-(4-fluorophenoxy)pyridin-2-yl)-2-((R)-3-(5-(methylsulfonyl)-6-oxo-1,6-dihydropyridin-3-yl)piperidin-1-yl)propanamide (1:1 Mixture) Step 1 To 5-bromo-2-chloro-3-(methylsulfonyl)pyridine (0.2 g, 0.739 mmol) in methanol (2.5 ml) was added sodium methoxide (25 wt % in MeOH, 0.2 ml, 0.875 mmol). After 90 min, additional sodium methoxide (25 wt % in MeOH, 0.2 ml, 0.875 mmol) was added. After 1 h, the reaction was concentrated, diluted with ethyl acetate, washed with 1 N aq. HCl and brine, dried over sodium sulfate, filtered, concentrated and purified by silica gel chromatography (ISCO Combiflash), eluting with 10-70% ethyl acetate in heptanes to give 105 mg (yield: 50.2%) 5-bromo-2-methoxy-3-(methylsulfonyl)pyridine as a white solid. LCMS: (ES, m/s) 266 [M+H]+, rt=0.64 min, Method 5. 1H NMR (400 MHz, CHLOROFORM-d) δ ppm 8.44 (d, J=2.45 Hz, 1H), 8.36 (d, J=2.45 Hz, 1H), 4.13 (s, 3H), 3.24 (s, 3H).
  • 5
  • [ 887308-14-7 ]
  • tert-butyl 6'-methoxy-5'-(methylsulfonyl)-5,6-dihydro-[3,3'-bipyridine]-1 (2H)-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sodium methoxide
  • 6
  • [ 887308-14-7 ]
  • tert-butyl 3-(6-methoxy-5-(methylsulfonyl)pyridin-3-yl)piperidine-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: sodium methoxide
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