Structure of 4080-54-0
*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. : | 4080-54-0 |
Formula : | C8H9NO2 |
M.W : | 151.16 |
SMILES Code : | O=C(O)C1=CC=NC=C1CC |
MDL No. : | MFCD11519078 |
InChI Key : | AIELWRZUDWJQFM-UHFFFAOYSA-N |
Pubchem ID : | 45084743 |
GHS Pictogram: |
![]() |
Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-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 |
---|---|---|
29.1% | With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; | Example 8(4-cyclobutylpiperazin-1-yl)(7-(3-ethylisonicotinoyl)-7-azaspiro[3.5]nonan-2-yl)methanone HBTU (229 mg, 0.60 mmol) and Intermediate 7 (160 mg, 0.55 mmol) were added to a solution of <strong>[4080-54-0]3-ethylisonicotinic acid</strong> (91 mg, 0.60 mmol) and DIEA (0.192 mL, 1.10 mmol) in DMF (10 mL). The reaction mixture was stirred overnight and the solvent was concentrated. The crude material was purified on preparative HPLC MS using the long high pH shallow gradient method (Mobile phase: 20-40% B; A: H2O with 15 mM NH4CO3 and 0.375% NH4OH v/v, B: CH3CN, 25 min. run) on XBridge Prep C18 OBD, 30×150 mm, 5 mum, Waters reverse phase column to provide title compound (67.8 mg, 29.1%) as a solid. 1H NMR (400 MHz, CDCl3) delta ppm 1.25 (td, J=7.52, 1.76 Hz, 3H) 1.42-1.52 (m, 1H) 1.55 (t, J=4.88 Hz, 1H) 1.60-1.79 (m, 5H) 1.79-1.95 (m, 2H) 1.97-2.09 (m, 3H) 2.09-2.21 (m, 2H) 2.22-2.35 (m, 4H) 2.53-2.78 (m, 3H) 2.99-3.30 (m, 3H) 3.30-3.41 (m, 2H) 3.52-3.72 (m, 3H) 3.72-3.91 (m, 1H) 6.98-7.10 (m, 1H) 8.48 (br. s., 1H) 8.55 (br. s., 1H); HRMS (ESI-TOF) m/z calcd for C25H37N4O2 425.29110 [M+H]+, found 425.29132. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Production Example 217; A mixture of 0.40 g of N2-methyl-5- trifluoromethylpyridine-2 , 3-diamine, 0.41 g of 3- ethylisonicotinic acid, 0.44 g of WSC and 10 ml of pyridine was stirred for 2.5 hours at 120C. The reaction mixture was cooled down to room temperature. Into the reaction mixture was poured water, and the mixture was extracted three times with ethyl acetate. The organic layer was dried over magnesium sulfate, then, concentrated under reduced pressure. To the residue was added a mixture of 0.60 g of p- toluenesulfonic acid monohydrate and 10 ml of toluene, and the mixture was stirred for 7 hours at 12O0C. The reaction mixture was cooled down to room temperature. Into the reaction mixture was pouted water, and the mixture was extracted three times with ethyl acetate. The organic layer was dried over magnesium sulfate, then, concentrated under reduced pressure. The residue was subjected to silica gel column chromatography to obtain 0.10 g of 2- ( 3-ethylpyridin-4-yl-) -3-methyl-6- trifluoromethyl-3H-imidazo [4 , 5-b] pyridine (hereinafter, referred to as present active compound 217) .Present active compound 2171H-NMR (CDCl3) delta: 8.76-8.74 (m, 2H), 8.67 (d, J=5.0Hz,IH), 8.35 (d, J=I.9Hz, IH), 7.31 (d, J=5.0Hz, IH), 3.78 (s, 3H), 2.70 (q, J=7.6Hz, 2H), 1.14 (t, J=7.6Hz, 3H) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Reference Production Example 79 A mixture of 2.7 g of 3-ethyl isonicotinonitrile, 1.63 g of sodium hydroxide, 20 ml of ethanol and 20 ml of water was heated to reflux for five hours. The reaction mixture was cooled to room temperature, and concentrated under reduced pressure. 3 M hydrochloric acid was added so that pH of the resultant residue became about 3, which was concentrated under reduced pressure again. To the resultant solid, 50 ml of ethanol was added and heated to reflux for five minutes, followed by hot filtration. To the solid collected by filtration, the same operation was carried out by using 50 ml each of ethanol. Combined filtrates were concentrated to give 2.49 g of 3-ethyl isonicotinic acid. [Show Image] 1H-NMR (DMSO-d6) delta: 13.5 8 (br s, 1H), 8.59 (s, 1H), 8.54 (d, J=5.0 Hz, 1H), 7,60 (d, J=5.0 Hz, 1H), 2.89 (q, J=7.5 Hz, 2H), 1.17 (t, J=7.4 Hz, 3H) | ||
Reference Production Example 79A mixture of 2.7 g of 3-ethyl isonicotinonitrile, 1.63 g of sodium hydroxide, 20 ml of ethanol and 20 ml of water was heated to reflux for five hours. The reaction mixture was cooled to room temperature, and concentrated under reduced pressure. 3 M hydrochloric acid was added so that pH of the resultant residue became about 3, which was concentrated under reduced pressure again. To the resultant solid, 50 ml of ethanol was added and heated to reflux for five minutes, followed by hot filtration. To the solid collected by filtration, the same operation was carried out by using 50 ml each of ethanol. Combined filtrates were concentrated to give 2.49 g of 3-ethyl isonicotinic acid.1H-NMR (DMSO-d6) delta: 13.58 (br s, 1H), 8.59 (s, 1H), 8.54 (d, J=5.0 Hz, 1H), 7.60 (d, J=5.0 Hz, 1H), 2.89 (q, J=7.5 Hz, 2H), 1.17 (t, J=7.4 Hz, 3H) | ||
Reference Production Example 79A mixture of 2.7 g of 3-ethyl isonicotinonitrile, 1.63 g of sodium hydroxide, 20 ml of ethanol and 20 ml of water was heated to reflux for five hours. The reaction mixture was cooled to room temperature, and concentrated under reduced pressure. 3 Mhydrochloric acid was added so that pH of the resultant residue became about 3, which was concentrated under reduced pressure again. To the resultant solid, 50 ml of ethanol was added and heated to reflux for five minutes, followed by hot filtration. To the solid collected by filtration, the same operation was carried out by using 50 ml each of ethanol.Combined filtrates were concentrated to give 2.49 g of 3-ethyl isonicotinic acid.-NMR (DMSO-d6) delta: 13.58 (br s, IH), 8.59 (s, IH), 8.54 (d, J=5.0 Hz, IH), 7.60 (d, J=5.0 Hz, IH), 2.89 (q, J=7.5 Hz, 2H), 1.17 (t, J=7.4 Hz, 3H) |
A mixture of 2.7 g of 3-ethyl isonicotinonitrile, 1.63 g of sodium hydroxide, 20 ml of ethanol and 20 ml of water was heated to reflux for five hours. The reaction mixture was cooled to room temperature, and concentrated under reduced pressure. 3 M hydrochloric acid was added so that pH of the resultant residue became about 3, which was concentrated under reduced pressure again. To the resultant solid, 50 ml of ethanol was added and heated to reflux for five minutes, followed by hot filtration. To the solid collected by filtration, the same operation was carried out by using 50 ml each of ethanol. Combined filtrates were concentrated to give 2.49 g of 3-ethyl isonicotinic acid.1 H-NMR (DMSO-d6) delta: 13.58 (br s, IH), 8.59 (s, IH), 8.54 (d, J=5.0 Hz, IH), 7.60 (d, J=5.0 Hz, IH), 2.89 (q, J=7.5 Hz, 2H), 1.17 (t, J=7.4 Hz, 3H) | ||
A mixture of 2.7 g of 3-ethyl isonicotinonitrile, 1.63 g of sodium hydroxide, 20 ml of ethanol and 20 ml of water was heated to reflux for five hours. The reaction mixture was cooled to room temperature, and concentrated under reduced pressure. 3 M hydrochloric acid was added so that pH of the resultant residue became about 3, which was concentrated under reduced pressure again. To the resultant solid, 50 ml of ethanol was added and heated to reflux for five minutes, followed by hot filtration. To the solid collected by filtration, the same operation was carried out by using 50 ml each of ethanol. Combined filtrates were concentrated to give 2.49 g of 3-ethyl isonicotinic acid.1 H-NMR (DMSO-d6) delta: 13.58 (br s, IH), 8.59 (s, IH), 8.54 (d, J=5.0 Hz, IH), 7.60 (d, J=5.0 Hz, IH), 2.89 (q, J=7.5 Hz, 2H), 1.17 (t, J=7.4 Hz, 3H) | ||
Reference Production Example 79A mixture of 2.7 g of 3-ethyl isonicotinonitrile, 1.63 g of sodium hydroxide, 20 ml of ethanol and 20 ml of water was heated to reflux for five hours. The reaction mixture was cooled to room temperature, and concentrated under reduced pressure. 3 Mhydrochloric acid was added so that pH of the resultant residue became about 3, which was concentrated under reduced pressure again. To the resultant solid, 50 ml of ethanol was added and heated to reflux for five minutes, followed by hot filtration. To the solid collected by filtration, the same operation was carried out by using 50 ml each of ethanol. Combined filtrates were concentrated to give 2.49 g of 3-ethyl isonicotinic acid. -NMR (DMSO-d6) delta: 13.58 (br s, 1H), 8.59 (s, 1H), 8.54 (d, J=5.0 Hz, 1H), 7.60 (d, J=5.0 Hz, 1H), 2.89 (q, J=7.5 Hz, 2H), 1.17 (t, J=7.4 Hz, 3H) | ||
Reference Production Example 79A mixture of 2.7 g of 3-ethyl isonicotinonitrile, 1.63 g of sodium hydroxide, 20 ml of ethanol and 20 ml of water was heated to reflux for five hours. The reaction mixture was cooled to room temperature, and concentrated under reduced pressure. 3 Mhydrochloric acid was added so that pH of the resultant residue became about 3, which was concentrated under reduced pressure again. To the resultant solid, 50 ml of ethanol was added and heated to reflux for five minutes, followed by hot filtration. To the solid collected by filtration, the same operation was carried out by using 50 ml each of ethanol. Combined filtrates were concentrated to give 2.49 g of 3-ethyl isonicotinic acid.-NMR (DMSO-d6) delta: 13.58 (br s, 1H), 8.59 (s, 1H), 8.54 (d, J=5.0 Hz, 1H), 7.60 (d, J=5.0 Hz, 1H), 2.89 (q, J=7.5 Hz, 2H), 1.17 (t, J=7.4 Hz, 3H) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With thionyl chloride; for 2.5h;Reflux; | Reference Production Example 40 A mixture of 0.62 g of <strong>[4080-54-0]3-ethyl isonicotinic acid</strong> 4 ml of thionyl chloride was heated to reflux for 2.5 hours. The reaction mixture was cooled to room temperature, the reaction mixture was concentrated under reduced pressure to give <strong>[4080-54-0]3-ethyl isonicotinic acid</strong> chloride. A mixture of the resultant <strong>[4080-54-0]3-ethyl isonicotinic acid</strong> chloride and 3 ml of DMF was added dropwise to a mixture of 0.87 g of 2-amino-5-chloro-4-trifluoromethylphenol, 0.83 g of triethylamine and 3 ml of DMF while ice-cooling. The reaction mixture was stirred at room temperature for two hours, and then water was added to the reaction mixture, followed by extraction with ethyl acetate twice. The combined organic layers were washed with water and a saturated sodium chloride solution, dried over anhydrous magnesium sulfate, and then concentrated under reduced pressure. The residue was subjected to silica gel column chromatography to give 0.23 g of N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]-3-ethyl isonicotinamide. [Show Image] 1H-NMR (DMSO-d6) delta: 9.98 (br s, 1H), 8.58-8.56 (m, 1H), 8.53 (d, J=4.8 Hz, 1H), 8.25 (s, 1H), 7.45 (d, J=4.9 Hz, 1H), 7.11 (s, 1H), 2.76 (q, J=7.6 Hz, 2H), 1.19 (t, J=7.6 Hz, 3H) | |
With thionyl chloride; for 2.5h;Reflux; | Reference Production Example 40A mixture of 0.62 g of <strong>[4080-54-0]3-ethyl isonicotinic acid</strong> 4 ml of thionyl chloride was heated to reflux for 2.5 hours. The reaction mixture was cooled to room temperature, the reaction mixture was concentrated under reduced pressure to give <strong>[4080-54-0]3-ethyl isonicotinic acid</strong> chloride. A mixture of the resultant <strong>[4080-54-0]3-ethyl isonicotinic acid</strong> chloride and 3 ml of DMF was added dropwise to a mixture of 0.87 g of 2-amino-5-chloro-4-trifluoromethylphenol, 0.83 g of triethylamine and 3 ml of DMF while ice-cooling. The reaction mixture was stirred at room temperature for two hours, and then water was added to the reaction mixture, followed by extraction with ethyl acetate twice. The combined organic layers were washed with water and a saturated sodium chloride solution, dried over anhydrous magnesium sulfate, and then concentrated under reduced pressure. The residue was subjected to silica gel column chromatography to give 0.23 g of N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]-3-ethyl isonicotinamide.1H-NMR (DMSO-d6) delta: 9.98 (br s, 1H), 8.58-8.56 (m, 1H), 8.53 (d, J=4.8 Hz, 1H), 8.25 (s, 1H), 7.45 (d, J=4.9 Hz, 1H), 7.11 (s, 1H), 2.76 (q, J=7.6 Hz, 2H), 1.19 (t, J=7.6 Hz, 3H) | |
With thionyl chloride; for 2.5h;Reflux; | Reference Production Example 40A mixture of 0.62 g of 3 -ethyl isonicotinic acid 4 ml of thionyl chloride was heated to reflux for 2.5 hours. The reaction mixture was cooled to room temperature, the reaction mixture was concentrated under reduced pressure to give 3 -ethyl isonicotinic acid chloride. A mixture of the resultant <strong>[4080-54-0]3-ethyl isonicotinic acid</strong> chloride and 3 ml of DMF was added dropwise to a mixture of 0.87 g of 2-amino-5-chloro-4-trifluoromethylphenol, 0.83 g of triethylamine and 3 ml of DMF while ice-cooling. The reaction mixture was stirred at room temperature for two hours, and then water was added to the reaction mixture, followed by extraction with ethyl acetate twice. The combined organic layers were washed with water and a saturated sodium chloride solution, dried over anhydrous magnesium sulfate, and then concentrated under reduced pressure. The residue was subjected to silica gel column chromatography to give 0.23 g of N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]-3-ethyl isonicotinamide.1H-NMR (DMSO-d6) delta: 9.98 (br s, 1H), 8.58-8.56 (m, 1H), 8.53 (d, J=4.8 Hz, 1H), 8.25 (s, 1H), 7.45 (d, J=4.9 Hz, 1H), 7.11 (s, 1H), 2.76 (q, J=7.6 Hz, 2H), 1.19 (t, J=7.6 Hz, 3H) |
With thionyl chloride; for 2.5h;Reflux; | A mixture of 0.62 g of 3 -ethyl isonicotinic acid 4 ml of thionyl chloride was heated to reflux for 2.5 hours. The reaction mixture was cooled to room temperature, the reaction mixture was concentrated under reduced pressure to give 3 -ethyl isonicotinic acid chloride. A mixture of the resultant 3 -ethyl isonicotinic acid chloride and 3 ml of DMF was added dropwise to a mixture of 0.87 g of 2-amino-5-chloro-4-trifluoromethylphenol, 0.83 g of triethylamine and 3 ml of DMF while ice-cooling. The reaction mixture was stirred at room temperature for two hours, and then water was added to the reaction mixture, followed by extraction with ethyl acetate twice. The combined organic layers were washed with water and a saturated sodium chloride solution, dried over anhydrous magnesium sulfate, and then concentrated under reduced pressure. The residue was subjected to silica gel column chromatography to give 0.23 g of N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]-3-ethyl isonicotinamide.1H-NMR (DMSO-d6) delta: 9.98 (br s, 1H), 8.58-8.56 (m, 1H), 8.53 (d, J=4.8 Hz, 1H), 8.25 (s, 1H), 7.45 (d, J=4.9 Hz, 1H), 7.11 (s, 1H), 2.76 (q, J=7.6 Hz, 2H), 1.19 (t, J=7.6 Hz, 3H) | |
With thionyl chloride; for 2.5h;Reflux; | A mixture of 0.62 g of <strong>[4080-54-0]3-ethyl isonicotinic acid</strong> 4 ml of thionyl chloride was heated to reflux for 2.5 hours. The reaction mixture was cooled to room temperature, the reaction mixture was concentrated under reduced pressure to give <strong>[4080-54-0]3-ethyl isonicotinic acid</strong> chloride. A mixture of the resultant <strong>[4080-54-0]3-ethyl isonicotinic acid</strong> chloride and 3 ml of DMF was added dropwise to a mixture of 0.87 g of 2-amino-5-chloro-4-trifluoromethylphenol, 0.83 g of triethylamine and 3 ml of DMF while ice-cooling. The reaction mixture was stirred at room temperature for two hours, and then water was added to the reaction mixture, followed by extraction with ethyl acetate twice. The combined organic layers were washed with water and a saturated sodium chloride solution, dried over anhydrous magnesium sulfate, and then concentrated under reduced pressure. The residue was subjected to silica gel column chromatography to give 0.23 g of N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]-3-ethyl isonicotinamide.-NMR (DMSO-d6) delta: 9.98 (br s, 1H), 8.58-8.56 (m, 1H), 8.53 (d, J=4.8 Hz, 1H), 8.25 (s, 1H), 7.45 (d, J=4.9 Hz, 1H), 7.11 (s, 1H), 2.76 (q, J=7.6 Hz, 2H), 1.19 (t, J=7.6 Hz, 3H) | |
With thionyl chloride; for 2.5h;Reflux; | Reference Production Example 40A mixture of 0.62 g of <strong>[4080-54-0]3-ethyl isonicotinic acid</strong> 4 ml of thionyl chloride was heated to reflux for 2.5 hours. The reaction mixture was cooled to room temperature, the reaction mixture was concentrated under reduced pressure to give 3 -ethyl isonicotinic acid chloride. A mixture of the resultant 3 -ethyl isonicotinic acid chloride and 3 ml of DMF was added dropwise to a mixture of 0.87 g of 2-amino-5-chloro-4-trifluoromethylphenol, 0.83 g of triethylamine and 3 ml of DMF while ice-cooling. The reaction mixture was stirred at room temperature for two hours, and then water was added to the reaction mixture, followed by extraction with ethyl acetate twice. The combined organic layers were washed with water and a saturated sodium chloride solution, dried over anhydrous magnesium sulfate, and then concentrated under reduced pressure. The residue was subjected to silica gel column chromatography to give 0.23 g of N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]-3-ethyl isonicotinamide. -NMR (DMSO-d6) delta: 9.98 (br s, 1H), 8.58-8.56 (m, 1H), 8.53 (d, J=4.8 Hz, 1H), 8.25 (s, 1H), 7.45 (d, J=4.9 Hz, 1H), 7.11 (s, 1H), 2.76 (q, J=7.6 Hz, 2H), 1.19 (t, J=7.6 Hz, 3H) | |
With thionyl chloride; for 2.5h;Reflux; | Reference Production Example 40A mixture of 0.62 g of 3-ethyl isonicotmic acid 4 ml of thionyl chloride was heated to reflux for 2.5 hours. The reaction mixture was cooled to room temperature, the reaction mixture was concentrated under reduced pressure to give <strong>[4080-54-0]3-ethyl isonicotinic acid</strong> chloride. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
88% | With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20℃; for 2h; | Into a 40- mL vial was placed a mixture of 6-amino-7-fluoro-3,4-dihydroquinolin-2(lH)-one (180 mg, 1.00 mmol, 1.00 equiv), N,N-dimethylformamide (5 mL), <strong>[4080-54-0]3-ethylisonicotinic acid</strong> (166 mg, 1.10 mmol, 1.10 equiv), N-ethyl-N-isopropylpropan-2-amine (387 mg, 3.00 mmol, 3.00 equiv) and l-((dimethylamino)(dimethyliminio)methyl)-lH-[l,2,3]triazolo[4,5-b]pyridine 3- oxide hexafluorophosphate(V) (570 mg, 1.50 mmol, 1.50 equiv). The reaction mixture was stirred for 2 hours at room temperature. The reaction mixture was filtered and the filtrate was purified by prep-HPLC. This resulted in 260 mg (88%) of 3-ethyl-N-(2-oxo-l,2,3,4- tetrahydroquinolin-6-yl)isonicotinamide. LC-MS (ES) [M+l]+ m/z: 296.1. Tl NMR (DMSO-i, 300 MHz) was consistent with a compound having the structure of 3-ethyl-N-(2- oxo-l,2,3,4-tetrahydroquinolin-6-yl)isonicotinamide. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
86% | With water; sodium hydroxide; In methanol; at 20℃; for 6h; | Into a lOO-mL round-bottomed flask was placed a mixture of methyl 3-ethylisonicotinate (3.30 g, 20.0 mmol, 1.00 equiv), methanol (20 mL), water (4 ml) and sodium hydroxide (1.60 g, 40.0 mmol, 2.00 equiv). The reaction mixture was stirred for 6 hours at room temperature. The pH was adjusted to a pH of approximately 4 with 2 M hydrochloric acid solution. The mixture was filtered and the filter cake was collected. This resulted in 2.60 g (86%) of 3-ethylisonicotinic acid as a white solid. LC-MS (ES) [M+l]+ m/z: 152.0. |
A113929 [27810-64-6]
Isoquinoline-5-carboxylic acid
Similarity: 0.88
A123053 [94015-05-1]
4-Methylnicotinic acid hydrochloride
Similarity: 0.88