*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.
Synonyms: s-Triazole; Pyrrodiazole
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. : | 288-88-0 |
Formula : | C2H3N3 |
M.W : | 69.07 |
SMILES Code : | N1N=CN=C1 |
Synonyms : |
s-Triazole; Pyrrodiazole
|
MDL No. : | MFCD00005228 |
InChI Key : | NSPMIYGKQJPBQR-UHFFFAOYSA-N |
Pubchem ID : | 9257 |
GHS Pictogram: |
![]() ![]() |
Signal Word: | Danger |
Hazard Statements: | H302-H313-H319-H360-H402 |
Precautionary Statements: | P201-P202-P264-P270-P273-P280-P301+P312+P330-P305+P351+P338-P312-P337+P313-P405-P501 |
* 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 |
---|---|---|
4.74 g | at 120℃; for 16 h; Inert atmosphere | Step 1. 250 mmol of dimethyl carbonate was added to a mixture of 50 mmol of 1,2,4-triazole and 12.5 mmol of sodium carbonate, and the resulting suspension was stirred at 120 ° C under a nitrogen atmosphere and refluxed for 16 h. Volatilization in the residual liquid in the vacuumWashing the residue with chloroform, filtering solid impurities, and spinning the filtrate.4.74 g of 4-methyl-1,2,4-triazole was obtained as a colorless liquid. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
10.5 g (58%) | With sodium methylate; sodium; In methanol; dichloromethane; chloroform; | (a) To a stirred solution of sodium methoxide (from 5 g of sodium, 0.218 mol) in 120 ml of methanol under argon was added 1,2,4-triazole (15 g, 0.217 mol) at 0° C. and then 30.9 g (0.217 mol) of methyl iodide, and the mixture was stirred at room temperature for 24 h. The solvent was concencentrated in vacuo, the residue was extracted with 80 ml of hot benzene and then with chloroform (3*80 ml). Upon removal of the solvent in vacuo, 25.4 g of a white gum was isolated and the gum was dissolved in methylene chloride, filtered, and the filtrate was concentrated to yield an oil. The oil was distilled (80°-90° C./10-15 mm) to afford 10.5 g (58percent) of 1-methyl-1,2,4-triazole. |
With sodium methylate; In methanol; benzene; | Preparation 20-1) To a solution of 1,2,4-triazole (100 g) in methanol (200 ml) was added 28percent sodium methoxide in methanol solution (278.3 ml), followed by iodomethane (205.5 g) and the solution was warmed to 40° C. for 18 hours. The solution was concentrated in vacuo to remove methanol then treated with benzene (150 ml), warmed to 70° C. and decanted. This was repeated with 3*150 ml portions of chloroform. The combined organic layer was concentrated in vacuo to ca. 100 ml and the white precipitate was removed by filtration. After evaporation of the filtrate the resulting red liquid residue was distilled at atmospheric pressure to give 1-methyl-1,2,4-triazole (71.45 g) as a colorless liquid that solidified in the refrigerator. bp: 175°-180° C. IR (Neat): 3100, 2950 cm-1NMR (CDCl3, delta): 3.95 (3H, s), 7.94 (1H, s), 8.05 (1H, s)EI-Mass (m/z): 83 (M+) | |
In tetrahydrofuran; methanol; | REFERENCE EXAMPLE 31 (S)2-Amino-4-methyl-(S)1-(1-methyl-1H-1,2,4-triazol-5-yl)-pentan-1-ol and (S)2-Amino-4-methyl-(R)1-(1-methyl-1H-1,2,4-triazol-5-yl)-pentan-1-ol To a suspension of 15.2 g of sodium hydride (60percent in oil) (washed with hexane) in 100 ml of tetrahydrofuran under argon was added slowly at 0° to 10° C. a solution of 25 g of 1,2,4-triazol in 100 ml of methanol. To this solution was added dropwise 25 ml of methyl iodide over 0.5 hour. The mixture was stirred at 0° C. for 1 hour and then refluxed for 15 minutes. The solution was concentrated under reduced pressure until sodium iodide began to precipitate. The mixture was diluted with 100 ml each of ether and dichloromethane, filtered and the filtrate concentrated to dryness. The residual solid was triturated with dichloromethane (100 ml) and filtered. The filtrate was dried over molecular sieves (3A) and passed through a thin pad of hydrous magnesium silicate. The solvent was removed under vacuum and the residue sublimed to give 7.72 g of 1-methyl-1,2,4-triazole, mp 18°-20° C. |
In tetrahydrofuran; methanol; | Reference Example 60 (S)-2-Amino-4-methyl-(R)-1-(1-methyl-1H-1,2,4-triazol-5-yl)pentan-1-ol To a suspension of 15.2 g of sodium hydride (60percent in oil)(washed with hexane) in 100 ml of tetrahydrofuran under argon was added slowly at 0° to 10°C a solution of 25 g of 1,2,4-triazole in 100 ml of methanol. To this solution was added dropwise 25 ml of methyl iodide over 0.5 hour. The mixture was stirred at 0°C for one hour and then refluxed for 15 minutes. The solution was concentrated under reduced pressure until sodium iodide began to precipitate. The mixture was diluted with 100 ml each of ether and dichloromethane, filtered and the filtrate concentrated to dryness. The residual solid was triturated with dichloromethane (100 ml) and filtered. The filtrate was dried over molecular sieves (3A) and passed through a thin pad of hydrous magnesium silicate. The solvent was removed under vacuum and the residue sublimed to give 7.72 g of 1-methyl-1,2,4-triazole, mp 18-20°C. | |
With sodium; In methanol; chloroform; benzene; | 1-Methyl-1,2,4-triazole Sodium (1.9 g, 83 mmol) was dissolved in MeOH (35 mL), allowed to cool to RT, then 1,2,4-triazole (5.7 g, 83 mmol) was added. The solution was cooled in an ice-water bath, then iodomethane (5.1 mL, 11.6 g, 82 mmol) was added dropwise. The reaction was allowed to warm to RT, stoppered, then heated at 38° C. overnight. The reaction was concentrated, then treated with hot benzene (25 mL) which resulted in the formation of white solids. Those solids were slurried in hot CHCl3 (25 ML) and filtered off. The CHCl3 slurry was repeated twice, the three filtrates combined, concentrated, and distlled (37-40° C./8 mm). Recovered 2.6 g (38percent). 1H NMR (CDCl3) delta8.05 (s, 1H), 7.93 (s, 1H), 3.96 (s, 3H). | |
Intermediate 281 -Methyl-1 H-1 ,2,4-triazole <n="101"/> In a microwave vial sodium methoxide (2.34g) was dissolved in methanol (10ml), 1 H- 1 ,2,4-triazole (3g) was added and the mixture was cooled to 5-1O0C. Methyl iodide (3.26ml) was added and the mixture was heated under microwave irradiation at 800C for 45min. The solvent was removed in vacuo. The oil was allowed to stand for 2h at RT until a solid was formed. To the solid, DCM was added, the DCM was decanted and the solvent was removed in vacuo. The residue was purified by flash chromatography on silica gel (100g silica) eluting with a gradient of 0-25percent methanol in DCM over 40min to give the title compound (1.19g) as a yellow oil. 1H NMR: (400MHz, DMSO) delta 8.45 (1 H, s), 7.95 (1 H, s), 3.85 (3H, s) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
3.90 g | 50 mmol of sodium methoxide was added to a mixture of 50 mmol of 1,2,4-triazole (a compound of the formula II) and 50 ml of a methanol solution, and the resulting suspension was stirred at 25 ° C for 30 min. Thereafter, 60 mmol of methyl bromide was added dropwise, and the mixture was refluxed at 70 ° C for 12 h. The volatiles in the reaction mixture were removed in vacuo, washed with chloroform, and solid impurities were filtered, after, rotary evaporation removal and the washing solvent, a colorless liquid of 1-methyl-1,2,4-triazole 3.90 g was obtained. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
71% | In ethanol; water; | EXAMPLE 8 2-(1H-1,2,4-triazole-1-yl)-3-methyl-quinoline A mixture of 1.78 g of <strong>[57876-69-4]2-chloro-3-methyl-quinoline</strong> and 0.69 g of 1,2,4-triazole is melt and allowed to stand at 120 C. for 4 hours. The melt is cooled, then dissolved in 10 ml of ethanol, poured into 20 ml of water and neutralized with 1 ml of concentrated ammonium hydroxide. The precipitated product is filtered. Thus 1.49 g of the desired compound are obtained, yield 71%. Mp.: 80-81 C. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
89.9% | With formamide; In water; | EXAMPLE 3 According to the operation mode of Example 1, 280 ml of formamide are heated to 170° C., and a mixture of 1.2 mols of N,N'-<strong>[628-36-4]diformylhydrazine</strong> and 1.2 mols (94.8 g) of ammonium hydrogen carbonate is added. 16.9 g of water and formamide are distilled off. Yield: 89.9percent of 1,2,4-triazole, m.p. 116° C. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90% | With potassium carbonate; In dimethyl sulfoxide; at 75℃; for 2h;Sealed tube; Inert atmosphere; | To a 100 mL dried sealed tube were added <strong>[454-16-0]1-fluoro-2-methoxy-4-nitrobenzene</strong> (0.6 g, 3.5 mmol), 1,2,4-triazole (0.36 g, 5.2 mmol) and potassium carbonate (0.9 g, 6.5 mmol), then DMSO (10 mL) was added. The sealed tube was sealed with teflon nut under nitrogen protection, then the mixture was heated to 75 °C and stirred for 2 h. The mixture was cooled to rt and to the residue was added water (60 mL). The mixture was stirred for 10 min and filtered. The filter cake was dried to give a light yellow solid (0.7 g, 90percent). MS(ESI, pos.ion) m/z: 221.1 (M+1); |
With potassium carbonate; In N,N-dimethyl-formamide; at 75℃; for 1h; | A mixture of l-fluoro-2-methoxy-4-nitrobenzene (7 g, 40 mmol), IH-I, 2,4-triazole (4.28 g, 60 mmol), K2CO3 (8.3 Ig, 60 mmol) and DMF (50 ml) was stirred for 1 h at 75 0C. The solvent was evaporated and the residue was taken up in EtOAcZH2O. The aq. layer was extracted 3 times with EtOAc. The combined organic layers were dried (MgSO4), filtered and the solvent was evaporated in vacuo. Yield: 4.4 g of intermediate 13. The crude product was used as such in the next reaction step |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With caesium carbonate; In N,N-dimethyl-formamide; at 20℃; for 0.5h; | Preparative Example 14aPreparation of tert-butyl f 6-( 1 H- 1 ,2,4-triazol- 1 -yl)pyridin-3 -yl]carbamateStep 1: 5-nitro-2-(lH-1,2,4-triazol-1-vDpvridine.<strong>[456-24-6]2-fluoro-5-nitropyridine</strong> (0.5g, 3.38mmol), 1,2,4-triazole (0.22g, 3.22mmol) were added in DMF (6.4mL), then cesium carbonate (3.14g, 9.65mmol) was added. The reaction was run at room temperature for 30 minutes. Water (5OmL) was added and product fell out of the solution. The solution was filtered and the solid was rinsed with ethyl acetate/water (1:1, 20mLx2), hot hexane(2OmL) to give the title compound as a white solid.LRMS calc: 191.15; obs: 192.15 (M+l). | |
With potassium carbonate; at 25℃; for 16h; | <strong>[456-24-6]2-fluoro-5-nitropyridine</strong> (30.g, 18.9 mmol) was added to a stirred solution of 1H-1,2,4-triazole (1.566 g, 22.7 mmol) and K2CO3 (5.14 g, 37.8 mmol) and stirred for 16 hrs at 25° C. Reaction mass was diluted with ice cold water and stirred for 15 min. The solid obtained was filtered and dried under vacuum to afford the desired product. MS (ESI): m/z 192 (M+H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With caesium carbonate; In N,N-dimethyl-formamide; at 20℃; | Example 23Preparation of N-(2- ( (JS, 2S)-2-\\ 1 -(5 -chloropyrimidin-2-yl)piperidin-4-yl] cyclopropyl } ethyl)-5 -( 1 H- 1 ,2,4-triazol- 1 -yl)pyrazin-2-amine,Step 1: 2-cMoro-5-flH--l.,2,4-triazol-1-yl')pyrazine.2,5-Dichloropyrazine (298mg, 2.0mmol) and 1,2,4-triazole (145mg, 2.1mmol) were added in DMF (1OmL), then cesium carbonate was added and the reaction was at room temperature over night. Water (2OmL) was added, extracted with ethyl acetate (3OmL), second wash with brine (2OmL). The organic phase was dried by magnesium sulfate, filtered, concentrated and purified by column chromatography through a 25 gram Biotage SNAP KP-Sil.(TM). silica gel cartridge eluting with 22percent ethyl acetate/hexanes to give the title compound as a white solid.LRMS calc: 181.58; obs: 182.21(M+1). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
43% | With potassium carbonate; In acetonitrile; at 80℃; for 0.0833333h;Sealed tube; | 3-formyl-4-(lH-l,2,4-triazol-l-yl)benzonitrile In sealed microwave reactors, <strong>[146137-79-3]4-fluoro-3-formylbenzonitrile</strong> (850 mg, 5.7 mmol) was dissolved in acetonitrile (15 mL), lH-l,2,4-triazol (590 mg, 8.55 mmol, 1.5eq) and K2C03 (1575 mg, 11.39 mmol, 2 eq) were added to give a colorless suspension. Then the reaction mixture was stirred and heated at 80°C for 5min. The reaction mixture was poured into 20 mL of water, extracted with 2x 20 mL of EtOAc. The combined organic layers were washed with lx 20 mL of water, lx 20 mL of brine, dried over Na2S04, filtered and concentrated in vacuo to give an orange solid, m= 983mg. The solid was triturated with dichloromethane and petroleum ether, filtered and dried in vacuo at 45 °C overnight to give 493 mg of a brown powder (Yield : 43percent) APCI-MS: (M+H)+ =199 1H NMR (300 MHz, DMSO-d6) delta ppm: 10.01 (s, 1H), 9.33 (s, 1H), 8.46 - 8.29 (m, 3H), 8.05 (d, J = 9.0 Hz, 1H). 4-(lH-l,2,4-triazol-l-yl)nicotinaldehvde Aspect of the product: yellow solid (Yield: 49percent) APCI-MS: (M+H)+ =175 1H NMR (300 MHz, DMSO-d6) delta ppm: 10.20 (s, 1H), 9.39 (s, 1H), 8.99 - 8.91 (m, 2H), 8.39 (s, 1H), 7.90 (d, J = 5.5 Hz, 1H). |
With potassium carbonate; In dimethyl sulfoxide; at 20 - 80℃;Microwave irradiation; | To a solution of <strong>[146137-79-3]5-cyano-2-fluorobenzaldehyde</strong> (200 mg, 1.34 mmol) in DMSO (8 mL) are added 1,2,4-triazole (139 mg, 2.01 mmol) and K2CO3 (370 mg, 2.7 mmol) at room temperature. The solution is heated to 80 °C for 5 minutes in a microwave reactor and then cooled down and washed with H20 (20 mL). The solution is extracted with EtOAc (3 x 15 mL). The combined organic layer is dried (MgS04), filtered and concentrated. The residue (120 mg, 45percent) is used in the next step of the synthesis without further purification. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
4.38 g | With hydrogen; nickel; In methanol; at 20℃; for 4h; | (2) Add 1,2,4 triazole 3 (5 g, 2.12 mol) to formaldehyde, sodium hydroxide,The substitution reaction occurs after hydrogen and nickel are mixed.Formation of 1-methyl-1,2,4triazole 4 (4.38 g, 2.9 mol) will give 1-methyl-1,2,4 triazole 4Add 50percent sodium hydroxide solution (100ml) to (4.38g, 2.9mol)And use chlorine gas for heating or lighting.The reaction produces 1-trichloromethyl-1,2,4 triazole 5 (3.9 g, 2.56 mol) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
20% | Preparation 52A: 5-Iodo-4-(lH-l,2,4-triazol-l-yl)pyrimidine[00236] To a solution of lH-l,2,4-triazole (0.158 g, 2.288 mmol) in THF (Volume: 6.03 ml) cooled to 0 C was added NaH (0.100 g, 2.496 mmol). The reaction mixture was stirred for 30 min at this temperature and then <strong>[63558-65-6]4-chloro-5-iodopyrimidine</strong> (0.500 g, 2.080 mmol) was added. The reaction mixture was allowed to warm to roomtemperature. After 16 hr, reaction quenched with saturated aqueous NH4C1 and diluted with EtOAc. The aqueous and organic layers were separated. Aqueous phase was extracted with EtOAc (3X). The organics layers were combined, dried over a2S04, filtered, and concentrated to afford an orange residue. The crude material was dissolved in a minimal amount of CH2CI2 to be chromatographed. Purification of the crude material by silica gel chromatography using an ISCO machine (40 g column, 40 mL/min, 20-80% EtOAc in hexanes over 20 min, tr = 13 min) gave 5-iodo-4-(lH-pyrazol-l- yl)pyrimidine (1 13 mg, 20%) as a white solid. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
42% | With trifluorormethanesulfonic acid; In nitromethane; at 80℃; for 16h; | The compound (651 mg, 5.0 mmol) obtained in Example 81 (1) was dissolved in nitromethane (50 mL), and trifluoromethanesulfonic acid (1.33 mL, 15 mmol) and 1,2,4-triazole (2.07 g, 30 mmol) were added thereto. The mixture was then heated to 80 C., followed by stirring for 16 hours. After the reaction mixture was allowed to cool, 7N NH3/MeOH (2.5 mL) was added thereto, followed by stirring. The residue obtained by evaporating the reaction mixture under reduced pressure was purified using medium pressure silica gel flash column chromatography (methanol:chloroform=1:50), thereby giving the title compound (379 mg, 42%) as a white solid. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
19% | With potassium carbonate; In N,N-dimethyl-formamide; at 110℃; for 2h;Sealed tube; | A mixture of <strong>[454-16-0]1-fluoro-2-methoxy-4-nitrobenzene</strong> (3 g, 17.27 mmol), 1H-1,2,4-triazole (1.19 g, 17.27 mmol) and K2C03 (2.38 g, 17.27 mmol) in dimethlyformamide (20 ml) was stirred for 2h at 110°C in a sealed tube. The reaction mixture was cooled to 25°C, poured into ice cold water, and extracted with ethyl acetate. The combined organic layers were washed with brine and dried over anhydrous sodium sulfate, filtered, and evaporated in vacuum. The crude material thus obtained was diluted with DMSO, and filtered. The solid residue was washed with water and hexane. The filtrate was purified by prep-HPLC and combined with the solid to afford4-(2-methoxy-4-nitro-phenyl)-4H-[1, 2, 4] triazole (650 mg, 19percent) as light yellow solid. LC-MS(ESI): 221 [(M+H)+]. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
98% | at 130℃; for 3h; | A 1-methyl -1, 2, 4-triazole preparation method comprises: in a 500 ml flask of the three-port adding 69g1, 2, 3-triazole, then adding 234g dimethyl carbonate, raising the temperature to 130 °C reaction 3 hour; After the reaction, the reaction mixture was cooled and vacuum distilled to collect fractions at 80 ° C to obtain 40 g of 1-methyl-2-methyl-2-methyl- -1,2,4-triazole. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
78.3% | With potassium carbonate; copper(II) oxide; In N,N-dimethyl-formamide; at 150℃; for 60h; | In the presence of a magnet,A reflux condenser and a thermometer were charged with CuO (0.5Mmol),Potassium carbonate (15 mmol),1H-1,2,4-triazole (5 mmol),Tris (4-iodobenzene) amine (1 mmol)And 20 mL of DMF.Start stirring at 150oC,For 60 hours.After completion of the reaction,The reaction solution was cooled to room temperature,filter,The filtrate was added with 100 mL of water,Precipitation a lot of precipitation,Filtration,Collecting filter cake,Tris (4-triazolyl) amine (L).Yield 78.3percent. |
78.3% | With potassium carbonate; copper(II) oxide; In N,N-dimethyl-formamide; at 150℃; for 60h; | Example 1Tris (4-iodo-phenyl) amine: 1H-1,2,4- triazole: potassium carbonate: copper oxide molar ratio is 2: 15: 30: 1 Equipped with a magnetic promoter, were added to the three 50mL round bottom flask with a reflux condenser and a thermometer CuO (0.5 mmol), potassium carbonate (15mmol), 1H-1,2,4- triazole (5mmol), tris (4 - iodobenzene) amine (1mmol) and 20 mLDMF.Stirring at 150oC, for 60 hours.After completion of the reaction, the reaction solution was cooled to room temperature, filtered and the filtrate was added 100mL of water, heavy precipitate precipitation, filtration, filter cake was collected, tris (4-triazol-phenyl) amine (L).Yield 78.3percent. |
78.3% | With potassium carbonate; copper(II) oxide; In N,N-dimethyl-formamide; at 150℃; for 60h; | The molar ratio of tris (4-iodobenzene) amine: 1H-1,2,4-triazole: potassium carbonate: copper oxide is 2: 15: 30: 1In the installation of magnetic son,Reflux condenser and thermometer50 mL three round bottom flask were addedCu (0.5 mmol), potassium carbonate (15 mmol), 1H-1,2,4-triazole (5 mmol), tris (4-iodobenzene) amine (1 mmol) and 20 ML DMF. Start stirring at 150 ° C for 60 hours. After completion of the reaction, the reaction solution was lowered to room temperature, filtered and the filtrate was added100 mL of water, precipitate a large number of precipitation, filter, filter cake, tris (4-triazolylphenyl) amine (L). Yield 78.3percent. |
78.3% | With potassium carbonate; copper(II) oxide; In N,N-dimethyl-formamide; at 150℃; for 60h; | The method comprises the following steps: reacting tris(4-iodobenzene)amine: 1H-1,2,4-triazole: the molar ratio of the potassium carbonate to the copper oxide is 2: 15: 30: 1. On-site magnetic separator, the reflux condenser and the thermometer are respectively added with CuO (0.5 mmol)), potassium carbonate (15 mmol)), 1H-1,2,4-triazole (5 mmol)), and tris(4-iodobenzene)amine (1 mmol)) and 20 mL of DMF. The mixture is stirred at 150 DEG c and reacts for 60 hours. After the reaction is finished, the reaction liquid is cooled to room temperature and filtered, adding 100 mL of water into the filtrate, separating out a large amount of precipitates, carrying out suction filtration, and collecting a filter cake, tri(4-triazolephenyl))amine (amine). The yield is 78.3percent. |
78.3% | With potassium carbonate; copper(II) oxide; In N,N-dimethyl-formamide; at 150℃; for 60h; | Three (4 - phenyl-iodide) amine: 1H - 1,2, 4 - triazole: potassium carbonate: copper oxide in a molar ratio of 2:15: 30:1In the provided with a magneton, reflux condenser and a thermometer of the 50 ml round bottom flask in three separately adding CuO (0.5 mmol), potassium carbonate (15 mmol), 1H - 1,2, 4 - triazole (5 mmol), three (4 - phenyl-iodide) amine (1 mmol) and 20 ml DMF. Stir in 150oC, reaction 60 hours. After the reaction, the reaction liquid to room temperature, filtered, the filtrate by adding 100 ml water, separating out a large amount of precipitation, filtration, collection filter cake, three (4 - triazole phenyl) amine (L). Yield 78.3percent. |
With potassium carbonate; copper(II) oxide; at 80 - 200℃; | The present invention preferably tri (4-iodo-phenyl) amine: 1H-1,2,4- triazole: potassium carbonate: copper oxide molar ratio of 2: 15: 30: 1; the reaction temperature is 80-200 , reaction time 12-120 hours.In a polar solvent, a "one-pot", tris (4-iodo-phenyl) amine, 1H-1,2,4- triazole, potassium carbonate and copper oxide under heating preparing tris (4- three yl) amine) (L). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
70% | at 180℃; for 72.0h;High pressure; | an aqueous solution (10mL) containing 1,2,3-H3btc (21.0mg, 0.1mmol), Htrz (14.0mg, 0.2mmol), ZnO (12.2mg, 0.15mmol) was sealed in a stainless steel vessel (23mL) and heated to 180°C for three days. After the mixture was cooled to room temperature at a rate of 2.4°C/h, pale yellow block-shaped crystals 1 suitable for X-ray diffraction were obtained directly, washed with ethanol and dried in air (yield: 70percent based ZnO). Anal. calcd for C11H7Zn2N3O7: C, 31.16; H, 1.66; N, 9.91. Found: C, 31.11; H, 1.64; N, 9.94. IR (KBr, cm?1): 3412(vs), 1620(s), 1521(w), 1445(w), 1382(m), 1286(w), 1154(s), 1129(s), 1091(m), 1033(w), 1009(w), 988(m), 926(m), 765(w), 728(w), 671(w), 564(m |
Tags: 288-88-0 synthesis path| 288-88-0 SDS| 288-88-0 COA| 288-88-0 purity| 288-88-0 application| 288-88-0 NMR| 288-88-0 COA| 288-88-0 structure
Precautionary Statements-General | |
Code | Phrase |
P101 | If medical advice is needed,have product container or label at hand. |
P102 | Keep out of reach of children. |
P103 | Read label before use |
Prevention | |
Code | Phrase |
P201 | Obtain special instructions before use. |
P202 | Do not handle until all safety precautions have been read and understood. |
P210 | Keep away from heat/sparks/open flames/hot surfaces. - No smoking. |
P211 | Do not spray on an open flame or other ignition source. |
P220 | Keep/Store away from clothing/combustible materials. |
P221 | Take any precaution to avoid mixing with combustibles |
P222 | Do not allow contact with air. |
P223 | Keep away from any possible contact with water, because of violent reaction and possible flash fire. |
P230 | Keep wetted |
P231 | Handle under inert gas. |
P232 | Protect from moisture. |
P233 | Keep container tightly closed. |
P234 | Keep only in original container. |
P235 | Keep cool |
P240 | Ground/bond container and receiving equipment. |
P241 | Use explosion-proof electrical/ventilating/lighting/equipment. |
P242 | Use only non-sparking tools. |
P243 | Take precautionary measures against static discharge. |
P244 | Keep reduction valves free from grease and oil. |
P250 | Do not subject to grinding/shock/friction. |
P251 | Pressurized container: Do not pierce or burn, even after use. |
P260 | Do not breathe dust/fume/gas/mist/vapours/spray. |
P261 | Avoid breathing dust/fume/gas/mist/vapours/spray. |
P262 | Do not get in eyes, on skin, or on clothing. |
P263 | Avoid contact during pregnancy/while nursing. |
P264 | Wash hands thoroughly after handling. |
P265 | Wash skin thouroughly after handling. |
P270 | Do not eat, drink or smoke when using this product. |
P271 | Use only outdoors or in a well-ventilated area. |
P272 | Contaminated work clothing should not be allowed out of the workplace. |
P273 | Avoid release to the environment. |
P280 | Wear protective gloves/protective clothing/eye protection/face protection. |
P281 | Use personal protective equipment as required. |
P282 | Wear cold insulating gloves/face shield/eye protection. |
P283 | Wear fire/flame resistant/retardant clothing. |
P284 | Wear respiratory protection. |
P285 | In case of inadequate ventilation wear respiratory protection. |
P231 + P232 | Handle under inert gas. Protect from moisture. |
P235 + P410 | Keep cool. Protect from sunlight. |
Response | |
Code | Phrase |
P301 | IF SWALLOWED: |
P304 | IF INHALED: |
P305 | IF IN EYES: |
P306 | IF ON CLOTHING: |
P307 | IF exposed: |
P308 | IF exposed or concerned: |
P309 | IF exposed or if you feel unwell: |
P310 | Immediately call a POISON CENTER or doctor/physician. |
P311 | Call a POISON CENTER or doctor/physician. |
P312 | Call a POISON CENTER or doctor/physician if you feel unwell. |
P313 | Get medical advice/attention. |
P314 | Get medical advice/attention if you feel unwell. |
P315 | Get immediate medical advice/attention. |
P320 | |
P302 + P352 | IF ON SKIN: wash with plenty of soap and water. |
P321 | |
P322 | |
P330 | Rinse mouth. |
P331 | Do NOT induce vomiting. |
P332 | IF SKIN irritation occurs: |
P333 | If skin irritation or rash occurs: |
P334 | Immerse in cool water/wrap n wet bandages. |
P335 | Brush off loose particles from skin. |
P336 | Thaw frosted parts with lukewarm water. Do not rub affected area. |
P337 | If eye irritation persists: |
P338 | Remove contact lenses, if present and easy to do. Continue rinsing. |
P340 | Remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P341 | If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P342 | If experiencing respiratory symptoms: |
P350 | Gently wash with plenty of soap and water. |
P351 | Rinse cautiously with water for several minutes. |
P352 | Wash with plenty of soap and water. |
P353 | Rinse skin with water/shower. |
P360 | Rinse immediately contaminated clothing and skin with plenty of water before removing clothes. |
P361 | Remove/Take off immediately all contaminated clothing. |
P362 | Take off contaminated clothing and wash before reuse. |
P363 | Wash contaminated clothing before reuse. |
P370 | In case of fire: |
P371 | In case of major fire and large quantities: |
P372 | Explosion risk in case of fire. |
P373 | DO NOT fight fire when fire reaches explosives. |
P374 | Fight fire with normal precautions from a reasonable distance. |
P376 | Stop leak if safe to do so. Oxidising gases (section 2.4) 1 |
P377 | Leaking gas fire: Do not extinguish, unless leak can be stopped safely. |
P378 | |
P380 | Evacuate area. |
P381 | Eliminate all ignition sources if safe to do so. |
P390 | Absorb spillage to prevent material damage. |
P391 | Collect spillage. Hazardous to the aquatic environment |
P301 + P310 | IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
P301 + P312 | IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
P301 + P330 + P331 | IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
P302 + P334 | IF ON SKIN: Immerse in cool water/wrap in wet bandages. |
P302 + P350 | IF ON SKIN: Gently wash with plenty of soap and water. |
P303 + P361 + P353 | IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
P304 + P312 | IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell. |
P304 + P340 | IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
P304 + P341 | IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P305 + P351 + P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
P306 + P360 | IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes. |
P307 + P311 | IF exposed: call a POISON CENTER or doctor/physician. |
P308 + P313 | IF exposed or concerned: Get medical advice/attention. |
P309 + P311 | IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician. |
P332 + P313 | IF SKIN irritation occurs: Get medical advice/attention. |
P333 + P313 | IF SKIN irritation or rash occurs: Get medical advice/attention. |
P335 + P334 | Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages. |
P337 + P313 | IF eye irritation persists: Get medical advice/attention. |
P342 + P311 | IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
P370 + P376 | In case of fire: Stop leak if safe to Do so. |
P370 + P378 | In case of fire: |
P370 + P380 | In case of fire: Evacuate area. |
P370 + P380 + P375 | In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. |
P371 + P380 + P375 | In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion. |
Storage | |
Code | Phrase |
P401 | |
P402 | Store in a dry place. |
P403 | Store in a well-ventilated place. |
P404 | Store in a closed container. |
P405 | Store locked up. |
P406 | Store in corrosive resistant/ container with a resistant inner liner. |
P407 | Maintain air gap between stacks/pallets. |
P410 | Protect from sunlight. |
P411 | |
P412 | Do not expose to temperatures exceeding 50 oC/ 122 oF. |
P413 | |
P420 | Store away from other materials. |
P422 | |
P402 + P404 | Store in a dry place. Store in a closed container. |
P403 + P233 | Store in a well-ventilated place. Keep container tightly closed. |
P403 + P235 | Store in a well-ventilated place. Keep cool. |
P410 + P403 | Protect from sunlight. Store in a well-ventilated place. |
P410 + P412 | Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF. |
P411 + P235 | Keep cool. |
Disposal | |
Code | Phrase |
P501 | Dispose of contents/container to ... |
P502 | Refer to manufacturer/supplier for information on recovery/recycling |
Physical hazards | |
Code | Phrase |
H200 | Unstable explosive |
H201 | Explosive; mass explosion hazard |
H202 | Explosive; severe projection hazard |
H203 | Explosive; fire, blast or projection hazard |
H204 | Fire or projection hazard |
H205 | May mass explode in fire |
H220 | Extremely flammable gas |
H221 | Flammable gas |
H222 | Extremely flammable aerosol |
H223 | Flammable aerosol |
H224 | Extremely flammable liquid and vapour |
H225 | Highly flammable liquid and vapour |
H226 | Flammable liquid and vapour |
H227 | Combustible liquid |
H228 | Flammable solid |
H229 | Pressurized container: may burst if heated |
H230 | May react explosively even in the absence of air |
H231 | May react explosively even in the absence of air at elevated pressure and/or temperature |
H240 | Heating may cause an explosion |
H241 | Heating may cause a fire or explosion |
H242 | Heating may cause a fire |
H250 | Catches fire spontaneously if exposed to air |
H251 | Self-heating; may catch fire |
H252 | Self-heating in large quantities; may catch fire |
H260 | In contact with water releases flammable gases which may ignite spontaneously |
H261 | In contact with water releases flammable gas |
H270 | May cause or intensify fire; oxidizer |
H271 | May cause fire or explosion; strong oxidizer |
H272 | May intensify fire; oxidizer |
H280 | Contains gas under pressure; may explode if heated |
H281 | Contains refrigerated gas; may cause cryogenic burns or injury |
H290 | May be corrosive to metals |
Health hazards | |
Code | Phrase |
H300 | Fatal if swallowed |
H301 | Toxic if swallowed |
H302 | Harmful if swallowed |
H303 | May be harmful if swallowed |
H304 | May be fatal if swallowed and enters airways |
H305 | May be harmful if swallowed and enters airways |
H310 | Fatal in contact with skin |
H311 | Toxic in contact with skin |
H312 | Harmful in contact with skin |
H313 | May be harmful in contact with skin |
H314 | Causes severe skin burns and eye damage |
H315 | Causes skin irritation |
H316 | Causes mild skin irritation |
H317 | May cause an allergic skin reaction |
H318 | Causes serious eye damage |
H319 | Causes serious eye irritation |
H320 | Causes eye irritation |
H330 | Fatal if inhaled |
H331 | Toxic if inhaled |
H332 | Harmful if inhaled |
H333 | May be harmful if inhaled |
H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled |
H335 | May cause respiratory irritation |
H336 | May cause drowsiness or dizziness |
H340 | May cause genetic defects |
H341 | Suspected of causing genetic defects |
H350 | May cause cancer |
H351 | Suspected of causing cancer |
H360 | May damage fertility or the unborn child |
H361 | Suspected of damaging fertility or the unborn child |
H361d | Suspected of damaging the unborn child |
H362 | May cause harm to breast-fed children |
H370 | Causes damage to organs |
H371 | May cause damage to organs |
H372 | Causes damage to organs through prolonged or repeated exposure |
H373 | May cause damage to organs through prolonged or repeated exposure |
Environmental hazards | |
Code | Phrase |
H400 | Very toxic to aquatic life |
H401 | Toxic to aquatic life |
H402 | Harmful to aquatic life |
H410 | Very toxic to aquatic life with long-lasting effects |
H411 | Toxic to aquatic life with long-lasting effects |
H412 | Harmful to aquatic life with long-lasting effects |
H413 | May cause long-lasting harmful effects to aquatic life |
H420 | Harms public health and the environment by destroying ozone in the upper atmosphere |
Sorry,this product has been discontinued.
Home
* Country/Region
* Quantity Required :
* Cat. No.:
* CAS No :
* Product Name :
* Additional Information :
Total Compounds: mg
The concentration of the dissolution solution you need to prepare is mg/mL