Structure of 345893-26-7
*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. : | 345893-26-7 |
Formula : | C12H17NO3 |
M.W : | 223.26 |
SMILES Code : | O=C(OC(C)(C)C)NC1=CC=C(C)C(O)=C1 |
MDL No. : | MFCD20414278 |
InChI Key : | DXXABMONDYMFCC-UHFFFAOYSA-N |
Pubchem ID : | 44668374 |
GHS Pictogram: |
![]() |
Signal Word: | Warning |
Hazard Statements: | H319-H317 |
Precautionary Statements: | P305+P351+P338-P280 |
* 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 |
---|---|---|
18% | With triethylamine; In tetrahydrofuran; at 0 - 20℃; for 15h; | Reference Example 32; tert-butyl (3-hydroxy-4-methylphenyl) carbamate; To a solution of 5-amino-2-methylphenol (10.0 g, 81.2 mmol) and triethylamine (16.9 rtiL, 122 mmol) in tetrahydrofuran (75 mL) was added dropwise with stirring under ice-cooling a solution of di-tert-butyl-dicarbonate (19.5 g, 89.3 mmol) in tetrahydrofuran(25 mL) , and the mixture was stirred at room temperature for 15 hr. The reaction mixture was diluted with water and extracted with ethyl acetate. The organic layer was washed with water and saturated brine, dried over anhydrous magnesium sulfate and filtrated. The filtrate was concentrated under reduced pressure, and the residue was purified by column chromatography (silica gel, hexane/ethyl acetate =95/5->50/50) to give the title compound (3.25 g, 18%) as a colorless oil.1H-NMR (DMSOd6, 300 MHz) delta 1.46 (9H, s) , 2.02 (3H, s) , 6.71 (IH, dd, J = 8.2, 1.8 Hz), 6.87 (IH, d, J = 8.2 Hz), 7.07 (IH, d, J = 1.8 Hz), 9.09 (IH, s) , 9.16 (IH, s) . |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
44% | With caesium carbonate; In N,N-dimethyl-formamide; at 50℃; for 15h; | A mixture of 3 (7.76g, 55.8mmol), 5-bromo-2-nitropyridine (10.3g, 50.7mmol), cesium carbonate (24.8g, 76.1mmol), and DMF (150mL) was stirred at 50C for 15h. The mixture was diluted with water and extracted with AcOEt. The extract was washed with water and brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. The residue was purified by basic silica gel column chromatography (AcOEt/hexane) to give 4 (4.37g, 33%) as a yellow solid: 1H NMR (DMSO-d6) delta 7.73-7.85 (3H, m), 8.10 (1H, t, J=2.1Hz), 8.15-8.19 (1H, m), 8.38 (1H, dd, J=9.0, 0.6Hz), 8.52-8.54 (1H, m). |
44% | With caesium carbonate; In N,N-dimethyl-formamide; at 20℃; for 15h; | Reference Example 33; tert-butyl {4-methyl-3- [ (6-nitropyridin-3-yl) oxy] phenyl} carbamate; A mixture of tert-butyl (3-hydroxy-4-methylphenyl) carbamate (3.14 g, 14.1 mmol), 5-bromo-2-nitropyridine (2.38 g, 11.7 mmol), <n="184"/>cesium carbonate (5.72 g, 17.6 mmol) and N,N-dimethylformamide (25 mL) was stirred at room temperature for 15 hr. The reaction mixture was diluted with water and extracted with ethyl acetate. The organic layer was washed with water and saturated brine, dried over anhydrous magnesium sulfate and filtrated. The filtrate was concentrated under reduced pressure, and the residue was purified by column chromatography (NH silica gel, hexane/ethyl acetate=80/20-»0/100) to give the title compound (1.86 g, 44%) as a colorless oil. 1H-NMR (DMSOd6, 300 MHz) delta 1.45 (9H, s) , 2.06 (3H, s) , 7.24 - 7.34 (3H, m) , 7.45 (IH, dd, J = 9.2, 2.9 Hz), 8.32 (IH, d, J = 9.2 Hz), 8.38 (IH, d, J = 2.9 Hz), 9.50 (IH, s) . |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
61.7 g | With sodium hydride; In N,N-dimethyl-formamide; at 20℃; for 12h; | The above white solid was 43 g and 44.7 g of 3-hydroxy-4-methyl - anilino carboxylate was dissolved in 100 ml of dimethylformamide was slowly added dropwise 40 ml of sodium hydride in dimethylformamide suspension (14.4 g of sodium hydride suspended in 40 ml of dimethylformamide), the addition was complete, stirring for 12 hours at room temperature, add citric acid to adjust the pH, the reaction solution was poured into 1000 ml ice-water, there is precipitation, filtration , the filter cake was washed with water, dried under an infrared lamp to give a pale yellow solid. The solid petroleum ether in ethyl acetate (10: 1) as a white solid was recrystallized from 61.7 g. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydride; | The (E) -3- dimethylamino-1- (pyridin-3-yl) -1-oxo-2-propenyl cyclizedwith thiourea 2-methylthio-4- ( pyridin-3-yl) pyrimidine, methylthio sulfoneobtained by oxidation, and then N-BOC-3- hydroxy-methyl aniline obtained afterremoval of the BOC protecting group |