Structure of 82657-74-7
*Storage: {[sel_prStorage]}
*Shipping: {[sel_prShipping]}
The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
4.5
*For Research Use Only !
Change View
Size | Price | VIP Price | US Stock |
Global Stock |
In Stock | ||
{[ item.pr_size ]} |
Inquiry
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price, item.discount_usd) ]} {[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]} |
Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]} | Inquiry {[ item.pr_usastock ]} In Stock Inquiry - | {[ item.pr_chinastock ]} {[ item.pr_remark ]} In Stock 1-2 weeks - Inquiry - | Login | - + | Inquiry |
Please Login or Create an Account to: See VIP prices and availability
US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days
1-2weeks
Inquiry
{[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
{[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price, item.pr_usd) ]}
Inquiry
{[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price, item.vip_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
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
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
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 |
GHS Pictogram: |
![]() |
Signal Word: | Warning |
Hazard Statements: | H302-H319 |
Precautionary Statements: | P305+P351+P338 |
* 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.
Yield | Reaction Conditions | Operation 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). |
Yield | Reaction Conditions | Operation 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. |
Yield | Reaction Conditions | Operation 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. |
Yield | Reaction Conditions | Operation 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+). |