Home Cart Sign in  
Chemical Structure| 82657-74-7 Chemical Structure| 82657-74-7

Structure of 82657-74-7

Chemical Structure| 82657-74-7

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

,{[proInfo.pro_purity]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size Price VIP Price

US Stock

Global Stock

In Stock
{[ item.pr_size ]} Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

  • {[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Alternative Products

Product Details of [ 82657-74-7 ]

CAS No. :82657-74-7
Formula : C8H9BrO2S
M.W : 249.13
SMILES Code : CS(=O)(=O)C1=C(CBr)C=CC=C1
MDL No. :MFCD11847473
InChI Key :ZBLBWTFICJOODX-UHFFFAOYSA-N
Pubchem ID :18922474

Safety of [ 82657-74-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H319
Precautionary Statements:P305+P351+P338

Application In Synthesis of [ 82657-74-7 ]

* 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 [ 82657-74-7 ]

[ 82657-74-7 ] Synthesis Path-Downstream   1~14

  • 1
  • [ 23276-69-9 ]
  • [ 82657-74-7 ]
  • 2
  • [ 916985-24-5 ]
  • [ 82657-74-7 ]
  • 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[[2-(methylsulfonyl)phenyl]methoxy]-2-thiophenecarbonitrile [ No CAS ]
  • 3
  • [ 16649-50-6 ]
  • [ 82657-74-7 ]
  • C12H19NO3S [ No CAS ]
  • 4
  • [ 89981-01-1 ]
  • [ 82657-74-7 ]
YieldReaction ConditionsOperation in experiment
With oxone; In methanol; water; Step A 2-(Methylsulfonyl)benzylbromide To a solution of 124 mg (0.57 mmol) of 2-(methylthio)-benzylbromide in 8.0 mL of methanol was added a solution of 702 mg of oxone in 7.0 mL of water. The solution was stirred for 4.5 h, concentrated in vacuo and purified by silica gel flash chromatography, eluding with 10% ethyl acetate/hexane to give 105 mg of the title compound. mass spec 249(M+). NMR (CDCl3): delta 3.25 (s, 3H), 5.07 (s, 2H), 7.50 (m, 1H), 7.60 (m, 2H), 8.05 (d, 1H).
  • 5
  • [ 82657-74-7 ]
  • C24H26N2O4S [ No CAS ]
  • 6
  • [ 82657-74-7 ]
  • C24H26N2O3S2 [ No CAS ]
  • 7
  • C17H22O3 [ No CAS ]
  • [ 82657-74-7 ]
  • C25H30O5S [ No CAS ]
  • 8
  • [ 554-84-7 ]
  • [ 82657-74-7 ]
  • C14H13NO5S [ No CAS ]
  • 9
  • [ 82657-74-7 ]
  • [ 1472648-46-6 ]
  • 10
  • [ 82657-74-7 ]
  • [ 1472647-92-9 ]
  • 11
  • [ 82657-74-7 ]
  • [ 1613166-28-1 ]
  • [ 1613165-94-8 ]
YieldReaction ConditionsOperation in experiment
3% With tetra-(n-butyl)ammonium iodide; potassium carbonate; In N,N-dimethyl-formamide; at 40.0℃; for 13.0h; 3-(4-Hydroxy-phenyl)-isoxazole-5-carboxylic acid amide (which may be prepared as described in Preparation of Intermediate 2; 50 mg, 0.245 mmol) was dissolved in DMF (1.5 mL). K2CO3 (42 mg, 0.30 mmol), tetrabutylammonium iodide (14 mg, 0.038 mmol), and 1-bromomethyl-2-methylsulfonyl-benzene (which is available from Combi-Blocks; 62 mg, 0.25 mmol) were added. The reaction mixture was heated at 40 C for 13 h. The reaction mixture was cooled to room temperature and partitioned between H2O (5 mL) and EtOAc (5 mL). The organic layer was dried (Na2SO4), filtered, evaporated, and purified twice by chromatography (40-60% EtOAc/hexanes) to give 3-[4-(2-methanesulfonyl- benzyloxy)-phenyl]-isoxazole-5-carboxylic acid amide (3 mg, 3%) as a white powder. HRMS Calcd. for C18H17N2O5S (M+H)+, 373.0853. Found: 373.0854.
  • 12
  • [ 82657-74-7 ]
  • 7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1H-oxazolo[5,4-c]quinolin-2-one [ No CAS ]
  • 7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-[(2-methylsulfonylphenyl)methyl]oxazolo[5,4-c]quinolin-2-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
4.06 mg With tetra-(n-butyl)ammonium iodide; caesium carbonate; In N,N-dimethyl-formamide; at 20.0℃; for 48.0h; Example 49: 7-(3,5-Dimethylisoxazol-4-yl)-8-methoxy-l-[(2- methylsulfonylphenyl)methyl] oxaz -c] quinolin-2-one [00313] A mixture of 7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-lH-oxazolo[5,4- c]quinolin-2-one (see Example 11, 27.5 mg, 0.0900 mmol), Cs2C03 (57.6 mg, 0.180 mmol), TBAI (32.6 mg, 0.0900 mmol), and l-(bromomethyl)-2-methylsulfonyl-benzene (44.0 mg, 0.180 mmol) in dry DMF (5.00 mL) was stirred at rt for 48h. The mixture was concentrated under reduced pressure, and the residue was diluted with EtOAc (75.0mL) and saturated aq NaHC03 (75.0 mL). The aq phase was extracted with EtOAc (3X75.0 mL), and the combined organic phases were washed with brine (100 mL), dried over MgS04, filtered, and concentrated under reduced pressure. The product was purified by HPLC (high pH) followed by flash chromatography on silica gel, eluting with mixtures of hexanes and EtOAc to provide the title compound as a solid (4.06 mg). 1H NMR (500 MHz, CDC13) delta 8.84 (s, 1H), 8.22 (dd, J = 5.4, 3.9 Hz, 1H), 7.88 (s, 1H), 7.70 - 7.51 (m, 2H), 7.24 - 7.13 (m, 1H), 6.91 (s, 1H), 6.14 (s, 2H), 3.57 (s, 3H), 3.27 (s, 3H), 2.30 (s, 3H), 2.13 (s, 3H); [M+H]+ 480.3.
  • 13
  • [ 82657-74-7 ]
  • [ 37797-12-9 ]
  • C31H34O6S [ No CAS ]
  • 14
  • [ 82657-74-7 ]
  • 5-tert-butyl-7-(2-methylpyrazol-3-yl)-3H-triazolo[4,5-d]pyrimidine [ No CAS ]
  • 5-tert-butyl-7-(2-methylpyrazol-3-yl)-3-[(2-methylsulfonylphenyl)methyl]triazolo[4,5-d]pyrimidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
3% With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 20.0℃; for 4.0h; A mixture of 5-tert-butyl-7-(2-methylpyrazol-3-yl)-3H-triazolo[4,5-d]pyrimidine (56.1 mg, 0.22 mmol), l-(bromomethyl)-2-(methylsulfonyl)benzene (70.6 mg, 0.28 mmol) and DBU (79.7 mg, 0.523 mmol) in DMF (3 mL) was stirred at room temperature for 4 h. The crude mixture was subjected to purification by preparative HPLC on reversed phase eluting with a gradient formed from acetonitrile, water and formic acid. Evaporation of the product containing fractions yielded the title compound (2.8 mg, 3 %). MS(m/e): 426.1 (MH+).
 

Historical Records

Technical Information

Categories